| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c2ccc(c(COC(=O)NCC1CCC(CC1)C(O)=O)c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H20ClNO4/c17-14-4-2-1-3-13(14)10-22-16(21)18-9-11-5-7-12(8-6-11)15(19)20/h1-4,11-12H,5-10H2,(H,18,21)(H,19,20)/t11-,12- |
| InChIKey | InChI | 1.03 | QQCVEOBSORPHSZ-HAQNSBGRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)OCc2ccccc2Cl |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC[CH](CC1)CNC(=O)OCc2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl |
