2-[2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid Openeye Name: 2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4-quinolyl]propanoic acid CAS Name: 2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4-quinolinyl]propanoic acid IUPAC Name: 2-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid Traditional Name: 2-[2-keto-1-[4-(trifluoromethyl)benzyl]-4-quinolyl]propionic acid Formula: C20H16F3NO3 MolecularWeight: 375.34115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C1=CC(=O)N(C2=CC=CC=C21)CC3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H16F3NO3/c1-12(19(26)27)16-10-18(25)24(17-5-3-2-4-15(16)17)11-13-6-8-14(9-7-13)20(21,22)23/h2-10,12H,11H2,1H3,(H,26,27)