Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1C(=O)O)N3CCC(c2ccccc2C(F)(F)F)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F |
SMILES | CACTVS | 3.341 | OC(=O)c1ccccc1NC(=O)N2CCC(CC2)c3ccccc3C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27) |
InChIKey | InChI | 1.03 | MEAQCLPMSVEOQF-UHFFFAOYSA-N |