Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Oc1cc(c(Cl)cc1)Cn5c2cc(OC(F)(F)F)ccc2c(c4noc3cc(OC)ccc34)c5C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2c(onc2c3c(C)n(Cc4cc(O[C@H](C)C(O)=O)ccc4Cl)c5cc(OC(F)(F)F)ccc35)c1 |
SMILES | CACTVS | 3.341 | COc1ccc2c(onc2c3c(C)n(Cc4cc(O[CH](C)C(O)=O)ccc4Cl)c5cc(OC(F)(F)F)ccc35)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)OC(C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC |
InChI | InChI | 1.03 | InChI=1S/C28H22ClF3N2O6/c1-14-25(26-21-8-4-17(37-3)12-24(21)40-33-26)20-7-5-19(39-28(30,31)32)11-23(20)34(14)13-16-10-18(6-9-22(16)29)38-15(2)27(35)36/h4-12,15H,13H2,1-3H3,(H,35,36)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | SCDKVHCGNOYKFK-OAHLLOKOSA-N |