種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(F)cc1Cl)NC(=O)Nc2cc(O)ccc2OC |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl |
SMILES | CACTVS | 3.341 | COc1ccc(O)cc1NC(=O)NC(=O)c2ccc(F)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O |
InChI | InChI | 1.03 | InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22) |
InChIKey | InChI | 1.03 | RFOBTYLRURSVJE-UHFFFAOYSA-N |