[4-(2-cyanophenyl)phenyl]methyl 3-oxidanylideneheptanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 3-oxidanylideneheptanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 3-oxoheptanoate CAS Name: 3-oxoheptanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 3-oxoheptanoate Traditional Name: 3-ketoenanthic acid [4-(2-cyanophenyl)benzyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCC(=O)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

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