ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-4-methyl-3-oxopentanoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-keto-4-methyl-valeric acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)C(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)C(C)C

InChI

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