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

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-pentanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxopentanoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-keto-valeric acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-20(23)19(21(24)25-4-2)13-15-9-11-16(12-10-15)18-8-6-5-7-17(18)14-22/h5-12,19H,3-4,13H2,1-2H3