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

Systemtic Name: ethyl 2-[(3-cyano-4-phenyl-phenyl)methyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[(3-cyano-4-phenyl-phenyl)methyl]-3-oxo-hexanoate CAS Name: 2-[(3-cyano-4-phenylphenyl)methyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-4-phenylphenyl)methyl]-3-oxohexanoate Traditional Name: 2-(3-cyano-4-phenyl-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=C2)C#N)C(=O)OCC

Isomeric SMILES

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

InChI

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