Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2 |
SMILES | CACTVS | 3.341 | CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 |
InChIKey | InChI | 1.03 | RTHCYVBBDHJXIQ-MRXNPFEDSA-N |