[isoquinolin-1-yl(phenyl)methyl] 3,4-dimethoxybenzoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 3,4-dimethoxybenzoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43)OC

InChI

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