1-methyl-4-oxidanylidene-6-phenyl-2-propyl-pyridine-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-6-phenyl-2-propyl-pyridine-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-6-phenyl-2-propyl-pyridine-3-carboxylic acid CAS Name: 1-methyl-4-oxo-6-phenyl-2-propyl-3-pyridinecarboxylic acid IUPAC Name: 1-methyl-4-oxo-6-phenyl-2-propylpyridine-3-carboxylic acid Traditional Name: 4-keto-1-methyl-6-phenyl-2-propyl-nicotinic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1C)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1C)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO3/c1-3-7-12-15(16(19)20)14(18)10-13(17(12)2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,19,20)