[1-(3,5-dimethoxyphenyl)isoquinolin-3-yl]methyl 3,5-dimethoxybenzoate

Systemtic Name: [1-(3,5-dimethoxyphenyl)isoquinolin-3-yl]methyl 3,5-dimethoxybenzoate Openeye Name: [1-(3,5-dimethoxyphenyl)-3-isoquinolyl]methyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [1-(3,5-dimethoxyphenyl)-3-isoquinolinyl]methyl ester IUPAC Name: [1-(3,5-dimethoxyphenyl)isoquinolin-3-yl]methyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [1-(3,5-dimethoxyphenyl)-3-isoquinolyl]methyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6/c1-30-21-10-18(11-22(14-21)31-2)26-25-8-6-5-7-17(25)9-20(28-26)16-34-27(29)19-12-23(32-3)15-24(13-19)33-4/h5-15H,16H2,1-4H3