4-oxidanylidene-1-(phenylmethyl)-2-propyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-(phenylmethyl)-2-propyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid Openeye Name: 1-benzyl-4-oxo-2-propyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid CAS Name: 4-oxo-1-(phenylmethyl)-2-propyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-oxo-2-propyl-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid Traditional Name: 1-benzyl-4-keto-2-propyl-6-[4-(trifluoromethyl)phenyl]nicotinic acid Formula: C23H20F3NO3 MolecularWeight: 415.40501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H20F3NO3/c1-2-6-18-21(22(29)30)20(28)13-19(27(18)14-15-7-4-3-5-8-15)16-9-11-17(12-10-16)23(24,25)26/h3-5,7-13H,2,6,14H2,1H3,(H,29,30)