Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(F)ccc1C(=O)NCC2C(O)C(N)CO2 |
InChI | InChI | 1.03 | InChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1 |
InChIKey | InChI | 1.03 | FDPRGBDPIJLPIW-MXWKQRLJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O |
SMILES | CACTVS | 3.385 | N[CH]1CO[CH](CNC(=O)c2ccc(F)cc2)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)NCC2C(C(CO2)N)O)F |