Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | DSFDQDMNXHLFAV-XSLAGTTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]([C@@H]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C2C3(CCC(N2CC4CC4)CC3)O)O |