| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc1cc(cc2c1nc(c2)CC(=O)N)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCc1cc(CC(O)=O)c2[nH]c(CC(N)=O)cc2c1 |
| SMILES | CACTVS | 3.341 | CCCc1cc(CC(O)=O)c2[nH]c(CC(N)=O)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O3/c1-2-3-9-4-10-6-12(8-13(16)18)17-15(10)11(5-9)7-14(19)20/h4-6,17H,2-3,7-8H2,1H3,(H2,16,18)(H,19,20) |
| InChIKey | InChI | 1.03 | OMLOGGCSARAIGZ-UHFFFAOYSA-N |
