| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H18N2O3/c1-27-20(16-9-7-15(8-10-16)14-5-3-2-4-6-14)21-23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13,20H,1H3,(H,23,24)(H,25,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | QYAGQWPYMHPLMR-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O |
