| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(c2cc(OCC1=C(C)CCCC1(C)C)ccc2)CCN |
| InChI | InChI | 1.03 | InChI=1S/C19H29NO2/c1-14-6-5-10-19(2,3)17(14)13-22-16-8-4-7-15(12-16)18(21)9-11-20/h4,7-8,12,18,21H,5-6,9-11,13,20H2,1-3H3/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | IMAIQFBFQHDLHJ-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(COc2cccc(c2)[C@H](O)CCN)C(C)(C)CCC1 |
| SMILES | CACTVS | 3.385 | CC1=C(COc2cccc(c2)[CH](O)CCN)C(C)(C)CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(C(CCC1)(C)C)COc2cccc(c2)C(CCN)O |
