Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)NC(CC)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13 |
SMILES | CACTVS | 3.341 | CC[CH](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C |
InChI | InChI | 1.03 | InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | GKJWXEORYGBJFS-QGZVFWFLSA-N |