methyl 4-cyano-5-oxidanylidene-3,5-diphenyl-2-propanoyl-pentanoate

Systemtic Name: methyl 4-cyano-5-oxidanylidene-3,5-diphenyl-2-propanoyl-pentanoate Openeye Name: methyl 4-cyano-5-oxo-3,5-diphenyl-2-propanoyl-pentanoate CAS Name: 4-cyano-5-oxo-2-(1-oxopropyl)-3,5-diphenylpentanoic acid methyl ester IUPAC Name: methyl 4-cyano-5-oxo-3,5-diphenyl-2-propanoylpentanoate Traditional Name: 4-cyano-5-keto-3,5-diphenyl-2-propionyl-valeric acid methyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1=CC=CC=C1)C(C#N)C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(=O)C(C(C1=CC=CC=C1)C(C#N)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H21NO4/c1-3-18(24)20(22(26)27-2)19(15-10-6-4-7-11-15)17(14-23)21(25)16-12-8-5-9-13-16/h4-13,17,19-20H,3H2,1-2H3