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

Systemtic Name: 2-[4-[(6-butyl-3-cyano-2-oxidanylidene-pyridin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-butyl-3-cyano-2-oxo-1-pyridyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-butyl-3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-butyl-3-cyano-2-oxopyridin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-butyl-3-cyano-2-keto-1-pyridyl)methyl]phenyl]benzoic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3/c1-2-3-6-20-14-13-19(15-25)23(27)26(20)16-17-9-11-18(12-10-17)21-7-4-5-8-22(21)24(28)29/h4-5,7-14H,2-3,6,16H2,1H3,(H,28,29)