| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc1ccc2c(c1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)Cc3ccc(Cl)cc23)ccc4OCOc14 |
| SMILES | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)Cc3ccc(Cl)cc23)ccc4OCOc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4 |
| InChI | InChI | 1.03 | InChI=1S/C17H12ClNO5/c18-11-3-1-9-5-14(20)19(12(9)6-11)7-10-2-4-13-16(24-8-23-13)15(10)17(21)22/h1-4,6H,5,7-8H2,(H,21,22) |
| InChIKey | InChI | 1.03 | XVKFXTJLVSDWCE-UHFFFAOYSA-N |
