2-azanyl-4-[3-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[3-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-4-[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]quinoline-3-carboxylic acid CAS Name: 2-amino-4-[[3-methyl-2-[4-(trifluoromethyl)phenyl]phenyl]-oxomethyl]-3-quinolinecarboxylic acid IUPAC Name: 2-amino-4-[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]quinoline-3-carboxylic acid Traditional Name: 2-amino-4-[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]quinoline-3-carboxylic acid Formula: C25H17F3N2O3 MolecularWeight: 450.40929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)C3=C(C(=NC4=CC=CC=C43)N)C(=O)O

InChI

InChI=1S/C25H17F3N2O3/c1-13-5-4-7-17(19(13)14-9-11-15(12-10-14)25(26,27)28)22(31)20-16-6-2-3-8-18(16)30-23(29)21(20)24(32)33/h2-12H,1H3,(H2,29,30)(H,32,33)