Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)C(=O)NC1CC(Oc2ccccc2)CCC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C20H20ClNO4/c21-14-6-4-5-13(11-14)19(23)22-18-12-16(9-10-17(18)20(24)25)26-15-7-2-1-3-8-15/h1-8,11,16-18H,9-10,12H2,(H,22,23)(H,24,25)/t16-,17-,18+/m1/s1 |
InChIKey | InChI | 1.06 | LPALRIFMURIDPH-KURKYZTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@H](C[C@@H]1NC(=O)c2cccc(Cl)c2)Oc3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH](C[CH]1NC(=O)c2cccc(Cl)c2)Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)O[C@@H]2CC[C@H]([C@H](C2)NC(=O)c3cccc(c3)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OC2CCC(C(C2)NC(=O)c3cccc(c3)Cl)C(=O)O |