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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl) 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (2-ethoxy-2-oxo-ethyl) 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (2-ethoxy-2-oxoethyl) ester IUPAC Name: (2-ethoxy-2-oxoethyl) 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid (2-ethoxy-2-keto-ethyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC(=O)OCC

InChI

InChI=1S/C22H21NO6/c1-3-27-16-11-9-15(10-12-16)23-13-19(22(26)29-14-20(24)28-4-2)17-7-5-6-8-18(17)21(23)25/h5-13H,3-4,14H2,1-2H3