Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H28ClNO4/c1-18-5-3-4-6-20(18)17-27-13-11-25(12-14-27,16-19-7-9-21(26)10-8-19)23(29)15-22(28)24(30)31-2/h3-10,15,28H,11-14,16-17H2,1-2H3/b22-15- |
InChIKey | InChI | 1.03 | PZKMJGGFECCDNI-JCMHNJIXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(O)=C\C(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)OC)O |