6-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid

Systemtic Name: 6-oxidanylidene-1-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 6-oxo-1-[(4-propan-2-ylphenyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-oxo-1-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid Traditional Name: 1-(4-isopropylbenzyl)-6-keto-nicotinic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)O

InChI

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