4,6-dimethyl-2-oxidanylidene-1-phenethyl-pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-2-oxidanylidene-1-phenethyl-pyridine-3-carboxylic acid Openeye Name: 4,6-dimethyl-2-oxo-1-phenethyl-pyridine-3-carboxylic acid CAS Name: 4,6-dimethyl-2-oxo-1-phenethyl-3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-2-oxo-1-phenethylpyridine-3-carboxylic acid Traditional Name: 2-keto-4,6-dimethyl-1-phenethyl-nicotinic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1CCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C16H17NO3/c1-11-10-12(2)17(15(18)14(11)16(19)20)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,20)