| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2cc(NC(Cc1ccc(cc1)OC)=O)cc(c2)OCC(=O)N3CC(NCC3)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O5/c1-28-16-4-2-14(3-5-16)8-18(25)23-15-9-17(11-21-10-15)29-13-20(27)24-7-6-22-19(26)12-24/h2-5,9-11H,6-8,12-13H2,1H3,(H,22,26)(H,23,25) |
| InChIKey | InChI | 1.03 | HQORDXPKFUZBKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(=O)Nc2cncc(OCC(=O)N3CCNC(=O)C3)c2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(=O)Nc2cncc(OCC(=O)N3CCNC(=O)C3)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3 |
