[1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] benzoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] benzoate Openeye Name: [1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] benzoate CAS Name: benzoic acid [1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] benzoate Traditional Name: benzoic acid (6-methoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinolin-7-yl) ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29NO5/c1-28-13-12-20-16-25(32-4)26(33-27(29)19-8-6-5-7-9-19)17-21(20)22(28)14-18-10-11-23(30-2)24(15-18)31-3/h5-11,15-17,22H,12-14H2,1-4H3