(2-ethoxy-2-oxidanylidene-ethyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (2-ethoxy-2-oxo-ethyl) 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxylic acid (2-ethoxy-2-keto-ethyl) ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H19NO6/c1-3-27-19(23)13-28-21(25)18-12-22(14-8-10-15(26-2)11-9-14)20(24)17-7-5-4-6-16(17)18/h4-12H,3,13H2,1-2H3