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

Systemtic Name: [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] 3,4,5-trimethoxybenzoate Openeye Name: [1,3-benzodioxol-5-yl(1-isoquinolyl)methyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1,3-benzodioxol-5-yl(1-isoquinolinyl)methyl] ester IUPAC Name: [1,3-benzodioxol-5-yl(isoquinolin-1-yl)methyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1,3-benzodioxol-5-yl(1-isoquinolyl)methyl] ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(C2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23NO7/c1-30-22-13-18(14-23(31-2)26(22)32-3)27(29)35-25(17-8-9-20-21(12-17)34-15-33-20)24-19-7-5-4-6-16(19)10-11-28-24/h4-14,25H,15H2,1-3H3