Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)C(O)(O)C(NC(=O)C)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H](Cc1ccccc1)C(O)(O)C(F)(F)F |
SMILES | CACTVS | 3.341 | CC(=O)N[CH](Cc1ccccc1)C(O)(O)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(Cc1ccccc1)C(C(F)(F)F)(O)O |
InChI | InChI | 1.03 | InChI=1S/C12H14F3NO3/c1-8(17)16-10(11(18,19)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10,18-19H,7H2,1H3,(H,16,17)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | NETPVFJEHOGNPJ-JTQLQIEISA-N |