2-[6-methyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid

Systemtic Name: 2-[6-methyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid Openeye Name: 2-[6-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4-quinolyl]propanoic acid CAS Name: 2-[6-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4-quinolinyl]propanoic acid IUPAC Name: 2-[6-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-4-yl]propanoic acid Traditional Name: 2-[2-keto-6-methyl-1-[4-(trifluoromethyl)benzyl]-4-quinolyl]propionic acid Formula: C21H18F3NO3 MolecularWeight: 389.36773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C=C2C(C)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C=C2C(C)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO3/c1-12-3-8-18-17(9-12)16(13(2)20(27)28)10-19(26)25(18)11-14-4-6-15(7-5-14)21(22,23)24/h3-10,13H,11H2,1-2H3,(H,27,28)