| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H18N2O4/c1-25-19(24)12-6-7-17(15(10-12)18(22)23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | SGTZBEQVIHRDED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)C(=O)O)NCCc2c[nH]c3c2cccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)C(=O)O)NCCc2c[nH]c3c2cccc3 |
