(4-oxidanylidene-4-phenyl-butyl) 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (4-keto-4-phenyl-butyl) ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCOC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H17NO4/c22-18(14-7-2-1-3-8-14)11-6-12-25-20(24)17-13-15-9-4-5-10-16(15)19(23)21-17/h1-5,7-10,13H,6,11-12H2,(H,21,23)