2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-benzofuran-4-carboxylic acid CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-6,7-dimethoxy-4-benzofurancarboxylic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-benzofuran-4-carboxylic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C(=O)N3CCC4=CC=CC=C4C3)C(=C1)C(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C(=O)N3CCC4=CC=CC=C4C3)C(=C1)C(=O)O)OC

InChI

InChI=1S/C21H19NO6/c1-26-16-10-15(21(24)25)14-9-17(28-18(14)19(16)27-2)20(23)22-8-7-12-5-3-4-6-13(12)11-22/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)