4,6-dimethyl-1-[(3-methylphenyl)methyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-1-[(3-methylphenyl)methyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 4,6-dimethyl-1-(m-tolylmethyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 4,6-dimethyl-1-[(3-methylphenyl)methyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 2-keto-4,6-dimethyl-1-(3-methylbenzyl)nicotinic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=C(C2=O)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=C(C2=O)C(=O)O)C)C

InChI

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