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PDBeChem : Molecule Descriptors
Molecule : E2T
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C26H24N2O6/c1-5-32-22-9-8-17(15(2)29)14-21(22)18-11-19(24-16(3)34-28(4)26(24)31)13-20(12-18)27-25(30)23-7-6-10-33-23/h6-14H,5H2,1-4H3,(H,27,30) |
2 |
InChIKey
|
InChI |
1.03 |
STAVPWADWLEVHH-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(C)C4=O)C(C)=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)C4=C(C)ON(C)C4=O)C(C)=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C |
|