| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1(CCN(CCC(=O)NCCN)CC1)N(c1ccccc1)C(=O)CC |
| InChI | InChI | 1.06 | InChI=1S/C21H32N4O4/c1-3-19(27)25(17-7-5-4-6-8-17)21(20(28)29-2)10-15-24(16-11-21)14-9-18(26)23-13-12-22/h4-8H,3,9-16,22H2,1-2H3,(H,23,26) |
| InChIKey | InChI | 1.06 | XXIJBKRNWYCXNY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(c1ccccc1)C2(CCN(CCC(=O)NCCN)CC2)C(=O)OC |
| SMILES | CACTVS | 3.385 | CCC(=O)N(c1ccccc1)C2(CCN(CCC(=O)NCCN)CC2)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCC(=O)NCCN)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCC(=O)NCCN)C(=O)OC |
