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

Systemtic Name: [(3,4-dimethoxyphenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(3,4-dimethoxyphenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3,4-dimethoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3,4-dimethoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(3,4-dimethoxyphenyl)-(1-isoquinolyl)methyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21NO4/c1-28-21-13-12-19(16-22(21)29-2)24(30-25(27)18-9-4-3-5-10-18)23-20-11-7-6-8-17(20)14-15-26-23/h3-16,24H,1-2H3