Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c(F)cc1 |
InChI | InChI | 1.06 | InChI=1S/C17H13FN2O3/c18-14-3-1-12(17(22)23)8-13(14)9-20-16(21)11-2-4-15-10(7-11)5-6-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23) |
InChIKey | InChI | 1.06 | JKFYNJOLPXQHQS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(F)c(CNC(=O)c2ccc3[nH]ccc3c2)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(F)c(CNC(=O)c2ccc3[nH]ccc3c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc[nH]2)cc1C(=O)NCc3cc(ccc3F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc[nH]2)cc1C(=O)NCc3cc(ccc3F)C(=O)O |