ethyl 2-cyano-3-(4-methylphenyl)-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: ethyl 2-cyano-3-(4-methylphenyl)-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-cyano-5-oxo-5-phenyl-3-(p-tolyl)pentanoate CAS Name: 2-cyano-3-(4-methylphenyl)-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(4-methylphenyl)-5-oxo-5-phenylpentanoate Traditional Name: 2-cyano-5-keto-5-phenyl-3-(p-tolyl)valeric acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C#N)C(CC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H21NO3/c1-3-25-21(24)19(14-22)18(16-11-9-15(2)10-12-16)13-20(23)17-7-5-4-6-8-17/h4-12,18-19H,3,13H2,1-2H3