methyl (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoate CAS Name: (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoate Traditional Name: (E)-4-[2-(1-cyanobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]but-2-enoic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N1CCC2=CC(=C(C=C2C1CC=CC(=O)OC)OC)OC

Isomeric SMILES

CCCC(C#N)N1CCC2=CC(=C(C=C2C1C/C=C/C(=O)OC)OC)OC

InChI

InChI=1S/C21H28N2O4/c1-5-7-16(14-22)23-11-10-15-12-19(25-2)20(26-3)13-17(15)18(23)8-6-9-21(24)27-4/h6,9,12-13,16,18H,5,7-8,10-11H2,1-4H3/b9-6+