| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c13c(cccc1)C(=O)C=C(C(NCC2CCCCC2)=O)O3 |
| InChI | InChI | 1.03 | InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20) |
| InChIKey | InChI | 1.03 | ZNVNVRHEGZKDAE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1CCCCC1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.385 | O=C(NCC1CCCCC1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3 |
