| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | NC(=O)c1ccc(cc1)n1c(ccc1CCC(=O)O)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25) |
| InChIKey | InChI | 1.06 | DVEWQLDDFLVLMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(cc1)n2c(CCC(O)=O)ccc2c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)n2c(CCC(O)=O)ccc2c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(n2c3ccc(cc3)C(=O)N)CCC(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ccc(n2c3ccc(cc3)C(=O)N)CCC(=O)O)F |
