| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.06 | YFVRICTZIFANOE-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc2ccc(F)c(Cl)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCC[CH]1C(=O)Nc2ccc(F)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)[C@H]2CCCC[C@H]2C(=O)O)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)C2CCCCC2C(=O)O)Cl)F |
