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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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