Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc2cc(OCC(O)(C(=O)Nc1cc(c(C#N)cc1)C(F)(F)F)C)ccc2Cl |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F |
SMILES | CACTVS | 3.341 | C[C](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O |
InChI | InChI | 1.03 | InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | SSFVOEAXHZGTRJ-KRWDZBQOSA-N |