| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 |
| InChIKey | InChI | 1.03 | SPIUTQOUKAMGCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(Oc2c(cccc2C(=O)OCCN3CCCCC3)C1=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(Oc2c(cccc2C(=O)OCCN3CCCCC3)C1=O)c4ccccc4 |
