Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1 |
InChIKey | InChI | 1.06 | ADGXNJWEGDDFPZ-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1CCN(CC1)C[C@@H](O)COc2cccc(c2)C(F)(F)F |
SMILES | CACTVS | 3.385 | NC1CCN(CC1)C[CH](O)COc2cccc(c2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OC[C@@H](CN2CCC(CC2)N)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)OCC(CN2CCC(CC2)N)O)C(F)(F)F |