Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |
SMILES | CACTVS | 3.341 | CCc1ccc(O[CH](Cc2ccccc2)C(O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1ccc(cc1)OC(Cc2ccccc2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | CJMVTSLLWMPEKQ-INIZCTEOSA-N |