methyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-phenyl-isoquinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-phenylisoquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N(C2=O)C3=CC=CC=C3)C(=O)OC)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N(C2=O)C3=CC=CC=C3)C(=O)OC)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H21NO7/c1-30-20-12-17-18(13-21(20)31-2)25(28)27(16-7-5-4-6-8-16)24(26(29)32-3)23(17)15-9-10-19-22(11-15)34-14-33-19/h4-13H,14H2,1-3H3