Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3 |
InChI | InChI | 1.03 | InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1 |
InChIKey | InChI | 1.03 | MXYUKLILVYORSK-HBMCJLEFSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@H](O)c3ccccc3 |
SMILES | CACTVS | 3.370 | CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O |