| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)Cc2c1ccccc1nc2)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | AZEGJHGXTSUPPG-AWEZNQCLSA-N |
