2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]acetic acid CAS Name: 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]acetic acid IUPAC Name: 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]acetic acid Traditional Name: 2-[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]acetic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)O

InChI

InChI=1S/C25H24N2O3/c1-2-3-7-22-14-13-20(15-24(28)29)25(30)27(22)17-18-9-11-19(12-10-18)23-8-5-4-6-21(23)16-26/h4-6,8-14H,2-3,7,15,17H2,1H3,(H,28,29)