Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1Cl)N3C(C(=O)NCc2ccc(Cl)cc2)CC(O)C3 |
InChI | InChI | 1.03 | InChI=1S/C19H18Cl2N2O3/c20-13-7-5-12(6-8-13)10-22-18(25)17-9-14(24)11-23(17)19(26)15-3-1-2-4-16(15)21/h1-8,14,17,24H,9-11H2,(H,22,25)/t14-,17+/m1/s1 |
InChIKey | InChI | 1.03 | POSPLUDREYFAQC-PBHICJAKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@H](N(C1)C(=O)c2ccccc2Cl)C(=O)NCc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | O[CH]1C[CH](N(C1)C(=O)c2ccccc2Cl)C(=O)NCc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)N2CC(CC2C(=O)NCc3ccc(cc3)Cl)O)Cl |