(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H17NO6/c1-2-27-22(26)19-16(15-9-5-6-10-18(15)29-19)12-28-21(25)17-11-13-7-3-4-8-14(13)20(24)23-17/h3-11H,2,12H2,1H3,(H,23,24)