Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(c2ccc(Oc1ccccc1C(F)(F)F)cc2C(=O)O)C(C)C)C3CCC(C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C25H28F3NO4/c1-15(2)29(23(30)17-10-8-16(3)9-11-17)21-13-12-18(14-19(21)24(31)32)33-22-7-5-4-6-20(22)25(26,27)28/h4-7,12-17H,8-11H2,1-3H3,(H,31,32)/t16-,17- |
InChIKey | InChI | 1.03 | ZPYBKNRAVNWEQX-QAQDUYKDSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c2ccc(Oc3ccccc3C(F)(F)F)cc2C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c2ccc(Oc3ccccc3C(F)(F)F)cc2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C |