Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20+/m0/s1 |
InChIKey | InChI | 1.03 | OMFRMAHOUUJSGP-AZUAARDMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(COC(=O)[C@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3 |
SMILES | CACTVS | 3.385 | Cc1c(COC(=O)[CH]2[CH](C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1c2ccccc2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl |