| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H27NO2/c1-16(2)24-14-13-23(3,4)20-15-19(10-11-21(20)24)18-8-5-17(6-9-18)7-12-22(25)26/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)/b12-7+ |
| InChIKey | InChI | 1.03 | CBXGBVMKROHWAL-KPKJPENVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(\C=C\C(O)=O)cc3 |
| SMILES | CACTVS | 3.385 | CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(C=CC(O)=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)C=CC(=O)O)(C)C |
