3-(5-cyano-2-methyl-6-oxidanylidene-3-propyl-pyridin-1-yl)-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-(5-cyano-2-methyl-6-oxidanylidene-3-propyl-pyridin-1-yl)-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-(5-cyano-2-methyl-6-oxo-3-propyl-1-pyridyl)-2-methyl-6-phenyl-benzoic acid CAS Name: 3-(5-cyano-2-methyl-6-oxo-3-propyl-1-pyridinyl)-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-(5-cyano-2-methyl-6-oxo-3-propylpyridin-1-yl)-2-methyl-6-phenylbenzoic acid Traditional Name: 3-(3-cyano-2-keto-6-methyl-5-propyl-1-pyridyl)-2-methyl-6-phenyl-benzoic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)C(=C1)C#N)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)C

Isomeric SMILES

CCCC1=C(N(C(=O)C(=C1)C#N)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)C

InChI

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