[(2,3-dimethoxyphenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(2,3-dimethoxyphenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(2,3-dimethoxyphenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(2,3-dimethoxyphenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(2,3-dimethoxyphenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(2,3-dimethoxyphenyl)-(1-isoquinolyl)methyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

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