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

Systemtic Name: 2-[(3-cyano-6-methyl-2-oxidanylidene-pyridin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-cyano-6-methyl-2-oxo-1-pyridyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-cyano-6-methyl-2-oxopyridin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-cyano-2-keto-6-methyl-1-pyridyl)methyl]-6-phenyl-benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N2O3/c1-14-10-11-16(12-22)20(24)23(14)13-17-8-5-9-18(19(17)21(25)26)15-6-3-2-4-7-15/h2-11H,13H2,1H3,(H,25,26)