[3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-methoxybenzoate

Systemtic Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-methoxybenzoate Openeye Name: [3-(3-methoxyphenyl)-4-isoquinolyl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(3-methoxyphenyl)-4-isoquinolinyl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(3-methoxyphenyl)-4-isoquinolyl]methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H21NO4/c1-28-20-12-10-17(11-13-20)25(27)30-16-23-22-9-4-3-6-19(22)15-26-24(23)18-7-5-8-21(14-18)29-2/h3-15H,16H2,1-2H3