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

Systemtic Name: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate Openeye Name: [1-isoquinolyl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-isoquinolinyl-(4-methoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [1-isoquinolyl-(4-methoxyphenyl)methyl] ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO5/c1-29-20-11-8-18(9-12-20)25(24-21-7-5-4-6-17(21)14-15-27-24)32-26(28)19-10-13-22(30-2)23(16-19)31-3/h4-16,25H,1-3H3