| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O3/c1-11(2)12-4-6-13(7-5-12)17(24-3)18-20-15-9-8-14(19(22)23)10-16(15)21-18/h4-11,17H,1-3H3,(H,20,21)(H,22,23)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | PVZNGPPPFPTWEL-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)C(C)C |
| SMILES | CACTVS | 3.385 | CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)C(c2[nH]c3cc(ccc3n2)C(=O)O)OC |
