Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C(NC(C)C)C)COc1ccc(c2c1CCC2)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12 |
SMILES | CACTVS | 3.370 | CC(C)N[CH](C)[CH](O)COc1ccc(C)c2CCCc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c2c1CCC2)OCC(C(C)NC(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16+/m0/s1 |
InChIKey | InChI | 1.03 | VFIDUCMKNJIJTO-XJKSGUPXSA-N |