| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.03 | IEFKPWNGVIDYEA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1 |
| SMILES | CACTVS | 3.370 | CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2=O)O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O |
