| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+ |
| InChIKey | InChI | 1.03 | JXTYCFKAGIEBPC-CJLVFECKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)\C(C)=N\OCCC(=O)N3CCOCC3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NOCCC(=O)N1CCOCC1)c2ccc(c(c2)OC3CCCC3)OC |
