3-(4-cyanophenyl)-4-oxidanylidene-2-(phenylcarbonyl)hexanoic acid

Systemtic Name: 3-(4-cyanophenyl)-4-oxidanylidene-2-(phenylcarbonyl)hexanoic acid Openeye Name: 2-benzoyl-3-(4-cyanophenyl)-4-oxo-hexanoic acid CAS Name: 2-benzoyl-3-(4-cyanophenyl)-4-oxohexanoic acid IUPAC Name: 2-benzoyl-3-(4-cyanophenyl)-4-oxohexanoic acid Traditional Name: 2-benzoyl-3-(4-cyanophenyl)-4-keto-hexanoic acid Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=C(C=C1)C#N)C(C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(=O)C(C1=CC=C(C=C1)C#N)C(C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H17NO4/c1-2-16(22)17(14-10-8-13(12-21)9-11-14)18(20(24)25)19(23)15-6-4-3-5-7-15/h3-11,17-18H,2H2,1H3,(H,24,25)