[isoquinolin-1-yl(phenyl)methyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 3,4,5-trimethoxybenzoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

InChI

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