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

Systemtic Name: ethyl 2-cyano-3,5-bis(4-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-cyano-5-oxo-3,5-bis(p-tolyl)pentanoate CAS Name: 2-cyano-3,5-bis(4-methylphenyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3,5-bis(4-methylphenyl)-5-oxopentanoate Traditional Name: 2-cyano-5-keto-3,5-bis(p-tolyl)valeric acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-4-26-22(25)20(14-23)19(17-9-5-15(2)6-10-17)13-21(24)18-11-7-16(3)8-12-18/h5-12,19-20H,4,13H2,1-3H3