(1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: (1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline CAS Name: (1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: (1S)-1-[2-(3,4-dimethoxyphenyl)ethynyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1C#CC3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H]1C#CC3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C22H25NO4/c1-23-11-10-16-13-21(26-4)22(27-5)14-17(16)18(23)8-6-15-7-9-19(24-2)20(12-15)25-3/h7,9,12-14,18H,10-11H2,1-5H3/t18-/m0/s1