Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1 |
InChIKey | InChI | 1.03 | YXYVNJXYQMACDG-UKILVPOCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C(=O)N2C[C@@H](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C2)c4ccccc4 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C(=O)N2C[CH](c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[C](C)(C2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)N2CC(C(C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O |