Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3 |
SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | TZTPJJNNACUQQR-FQEVSTJZSA-N |