5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylic acid Openeye Name: 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid CAS Name: 5-[(6,7-dimethoxy-1-isoquinolinyl)-oxomethyl]-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid Traditional Name: 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid Formula: C20H15NO7 MolecularWeight: 381.3356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=C(C4=C(C=C3)OCO4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=C(C4=C(C=C3)OCO4)C(=O)O)OC

InChI

InChI=1S/C20H15NO7/c1-25-14-7-10-5-6-21-17(12(10)8-15(14)26-2)18(22)11-3-4-13-19(28-9-27-13)16(11)20(23)24/h3-8H,9H2,1-2H3,(H,23,24)