| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | FNQKMGFRSDCOQF-YOYLNRMTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)\C(C)=N/OCC(=O)N3C[C@H](C)O[C@@H](C)C3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(O1)C)C(=O)CON=C(C)c2ccc(c(c2)OC3CCCC3)OC |
