| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |
| SMILES | CACTVS | 3.341 | COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | ASUTZQLVASHGKV-JDFRZJQESA-N |
