| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(=O)(CC(=O)NCCCNCc1cc(c(cc1)c2ccccc2)Cl)OC |
| InChI | InChI | 1.03 | InChI=1S/C20H23ClN2O3/c1-26-20(25)13-19(24)23-11-5-10-22-14-15-8-9-17(18(21)12-15)16-6-3-2-4-7-16/h2-4,6-9,12,22H,5,10-11,13-14H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.03 | MTDVIYKGVPWNHL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
