Ketcher 02252009532D 1 1.00000 0.00000 0 45 49 0 0 0 999 V2000 10.2137 -6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3135 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 -7.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 -4.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 -6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3135 -4.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 -6.1787 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 -7.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3135 -7.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 -4.1782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 -4.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7644 -5.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 -7.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 -4.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 -8.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3135 -8.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6646 -6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2137 -9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 -9.1796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 -5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9144 -8.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9141 -10.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 -7.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 -7.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7127 -7.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7127 -6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 -5.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 -5.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -6.1287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2653 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 -6.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 -5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8160 -6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8160 -7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9658 -7.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 -7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2153 -7.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2153 -8.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3650 -9.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 -8.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 -7.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -8.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 22 2 0 0 0 20 23 1 0 0 0 7 11 1 0 0 0 17 19 2 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 8 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 8 1 0 0 0 2 5 2 0 0 0 8 29 2 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 21 30 1 0 0 0 4 9 1 0 0 0 30 31 1 0 0 0 4 10 2 0 0 0 31 32 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 2 0 0 0 7 15 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 32 1 0 0 0 9 16 2 0 0 0 30 38 1 0 0 0 10 17 1 0 0 0 13 18 1 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 18 21 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 43 38 1 0 0 0 26 44 1 0 0 0 26 45 1 0 0 0 M CHG 2 20 1 23 -1 M END > CHEBI:146221 > 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate > A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. > 3 > 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda(5)-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate > 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate > C34H38N3O7P > 631.666 > 631.24474 > 0 > C1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)C=5C=C(C=CC5)[N+](=O)[O-] > InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3 > NSVFSAJIGAJDMR-UHFFFAOYSA-N $$$$