2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-cyclohexane-1,3-diol

Systemtic Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-cyclohexane-1,3-diol Openeye Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-cyclohexane-1,3-diol CAS Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethylcyclohexane-1,3-diol IUPAC Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethylcyclohexane-1,3-diol Traditional Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-cyclohexane-1,3-diol Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(C1)O)C2=NC(CC3=CC(=C(C=C32)OC)OC)(C)C)O)C

Isomeric SMILES

CC1(CC(C(C(C1)O)C2=NC(CC3=CC(=C(C=C32)OC)OC)(C)C)O)C

InChI

InChI=1S/C21H31NO4/c1-20(2)10-14(23)18(15(24)11-20)19-13-8-17(26-6)16(25-5)7-12(13)9-21(3,4)22-19/h7-8,14-15,18,23-24H,9-11H2,1-6H3