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

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-hexanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxohexanoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-keto-hexanoic acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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