2-ethyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]carbonylamino]quinoline-3-carboxylic acid

Systemtic Name: 2-ethyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]carbonylamino]quinoline-3-carboxylic acid Openeye Name: 2-ethyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid CAS Name: 2-ethyl-7-[[oxo-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 2-ethyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid Traditional Name: 2-ethyl-7-[[2-[4-(trifluoromethyl)phenyl]nicotinoyl]amino]quinoline-3-carboxylic acid Formula: C25H18F3N3O3 MolecularWeight: 465.42393

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C=CC(=CC2=N1)NC(=O)C3=C(N=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C=C2C=CC(=CC2=N1)NC(=O)C3=C(N=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C25H18F3N3O3/c1-2-20-19(24(33)34)12-15-7-10-17(13-21(15)31-20)30-23(32)18-4-3-11-29-22(18)14-5-8-16(9-6-14)25(26,27)28/h3-13H,2H2,1H3,(H,30,32)(H,33,34)