| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3c(Cl)c(c1cnc(cc1)N2CCC(CC2)C(O)=O)cc(c3)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24) |
| InChIKey | InChI | 1.03 | ZHEDDGBFOGXDOY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(Cl)c(c1)c2ccc(nc2)N3CCC(CC3)C(O)=O |
| SMILES | CACTVS | 3.385 | OCc1ccc(Cl)c(c1)c2ccc(nc2)N3CCC(CC3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl |
