| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C20H22N2O5/c1-4-10-22-19(26)16-11(2)12(8-9-13(16)21(3)20(22)27)18(25)17-14(23)6-5-7-15(17)24/h8-9,23H,4-7,10H2,1-3H3 |
| InChIKey | InChI | 1.06 | GZGGFOQLRZHBAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O |
| SMILES | CACTVS | 3.385 | CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C(O)CCCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1C(=O)c2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCCC3=O)O)C |
