[(3,4-dimethoxyphenyl)-(3-methylisoquinolin-1-yl)methyl] benzoate

Systemtic Name: [(3,4-dimethoxyphenyl)-(3-methylisoquinolin-1-yl)methyl] benzoate Openeye Name: [(3,4-dimethoxyphenyl)-(3-methyl-1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3,4-dimethoxyphenyl)-(3-methyl-1-isoquinolinyl)methyl] ester IUPAC Name: [(3,4-dimethoxyphenyl)-(3-methylisoquinolin-1-yl)methyl] benzoate Traditional Name: benzoic acid [(3,4-dimethoxyphenyl)-(3-methyl-1-isoquinolyl)methyl] ester Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=N1)C(C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=N1)C(C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO4/c1-17-15-19-11-7-8-12-21(19)24(27-17)25(31-26(28)18-9-5-4-6-10-18)20-13-14-22(29-2)23(16-20)30-3/h4-16,25H,1-3H3