| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H24N2O5/c23-18-9-5-4-8-17(18)13-22(15-20(26)27)11-10-21(14-19(24)25)12-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,25)(H,26,27) |
| InChIKey | InChI | 1.03 | JSDNXVMPVNBNSK-UHFFFAOYSA-N |
