methyl 5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylate

Systemtic Name: methyl 5-(6,7-dimethoxyisoquinolin-1-yl)carbonyl-1,3-benzodioxole-4-carboxylate Openeye Name: methyl 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylate CAS Name: 5-[(6,7-dimethoxy-1-isoquinolinyl)-oxomethyl]-1,3-benzodioxole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylate Traditional Name: 5-(6,7-dimethoxyisoquinoline-1-carbonyl)-1,3-benzodioxole-4-carboxylic acid methyl ester Formula: C21H17NO7 MolecularWeight: 395.36218

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO7/c1-25-15-8-11-6-7-22-18(13(11)9-16(15)26-2)19(23)12-4-5-14-20(29-10-28-14)17(12)21(24)27-3/h4-9H,10H2,1-3H3