Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C |
InChI | InChI | 1.03 | InChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1 |
InChIKey | InChI | 1.03 | XXBAYVUJUAKTFU-FCHUYYIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@@H](C)N(CCc2c1c3cc(F)c(O)c(NCC(C)C)c3)[C@@H](C)c4ccc(cc4)C(C)C |
SMILES | CACTVS | 3.385 | COc1ccc2[CH](C)N(CCc2c1c3cc(F)c(O)c(NCC(C)C)c3)[CH](C)c4ccc(cc4)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2ccc(c(c2CCN1C(C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC |