| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C4NCC(Oc1cc(nc2c1ccc(OC)c2)c3ccccc3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C21H20N2O4/c1-26-14-7-8-16-18(9-14)23-17(13-5-3-2-4-6-13)11-20(16)27-15-10-19(21(24)25)22-12-15/h2-9,11,15,19,22H,10,12H2,1H3,(H,24,25)/t15-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | GCPWMVSFJGFCCB-BEFAXECRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2c(O[C@H]3CN[C@@H](C3)C(O)=O)cc(nc2c1)c4ccccc4 |
| SMILES | CACTVS | 3.370 | COc1ccc2c(O[CH]3CN[CH](C3)C(O)=O)cc(nc2c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)nc(cc2OC3CC(NC3)C(=O)O)c4ccccc4 |
