Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)OCC1CC(Oc2ccccc2)CCC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C20H21ClO4/c21-15-5-4-8-17(12-15)24-13-14-11-18(9-10-19(14)20(22)23)25-16-6-2-1-3-7-16/h1-8,12,14,18-19H,9-11,13H2,(H,22,23)/t14-,18+,19-/m1/s1 |
InChIKey | InChI | 1.06 | IIMAZIDTCFIPHU-MDASCCDHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@@H](C[C@@H]1COc2cccc(Cl)c2)Oc3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH](C[CH]1COc2cccc(Cl)c2)Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)O[C@H]2CC[C@H]([C@H](C2)COc3cccc(c3)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OC2CCC(C(C2)COc3cccc(c3)Cl)C(=O)O |