4,6-diethyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 4,6-diethyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Openeye Name: 4,6-diethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid CAS Name: 4,6-diethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 4,6-diethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Traditional Name: 4,6-diethyl-2-keto-1-[4-(trifluoromethyl)benzyl]nicotinic acid Formula: C18H18F3NO3 MolecularWeight: 353.33563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=O)N1CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)CC

Isomeric SMILES

CCC1=CC(=C(C(=O)N1CC2=CC=C(C=C2)C(F)(F)F)C(=O)O)CC

InChI

InChI=1S/C18H18F3NO3/c1-3-12-9-14(4-2)22(16(23)15(12)17(24)25)10-11-5-7-13(8-6-11)18(19,20)21/h5-9H,3-4,10H2,1-2H3,(H,24,25)