6-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-methyl-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-methyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-methyl-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C18H12F3NO2 MolecularWeight: 331.28859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3NO2/c1-10-2-7-15-13(8-10)14(17(23)24)9-16(22-15)11-3-5-12(6-4-11)18(19,20)21/h2-9H,1H3,(H,23,24)