| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1 |
| SMILES | CACTVS | 3.341 | Oc1ccc(C[CH]2NC(=O)[CH]3CCCN3C2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC2C(=O)N3CCCC3C(=O)N2)O |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | LSGOTAXPWMCUCK-RYUDHWBXSA-N |
