| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKLPARSLTMPFCP-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COCCN1CCN(CC1)[C@@H](c2ccccc2)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)COCCN1CCN(CC1)[CH](c2ccccc2)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O |
