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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)C#N

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)C#N

InChI

InChI=1S/C24H22N2O3/c1-3-4-10-19-12-11-18(15-25)23(27)26(19)21-14-13-20(17-8-6-5-7-9-17)22(16(21)2)24(28)29/h5-9,11-14H,3-4,10H2,1-2H3,(H,28,29)