| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3 |
| InChIKey | InChI | 1.06 | LROAFDKZXGZQJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O |
| SMILES | CACTVS | 3.385 | CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=N2)C)c3ccccc3)C(=O)C4=C(CCCC4=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=N2)C)c3ccccc3)C(=O)C4=C(CCCC4=O)O |
