Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F |
InChI | InChI | 1.03 | InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1 |
InChIKey | InChI | 1.03 | SXUQDOSXLJQVRA-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@@H](O)c1cccc(OCC2CCC(F)(F)CC2)c1 |
SMILES | CACTVS | 3.385 | NCC[CH](O)c1cccc(OCC2CCC(F)(F)CC2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC2CCC(CC2)(F)F)C(CCN)O |