propyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: propyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: propyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid propyl ester IUPAC Name: propyl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid propyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H21NO4/c1-3-13-26-21(24)19-14-22(15-9-11-16(12-10-15)25-4-2)20(23)18-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3