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Molecule : J6T

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1
2	InChIKey	InChI	1.03	XHLXBWRISOPXQB-OAQYLSRUSA-N
3	SMILES	CACTVS	3.385	N[CH](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2
4	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)C(CO)N
5	Canonical SMILES	CACTVS	3.385	N[C@H](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N