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

Systemtic Name: 6-methyl-2-[[4-(trifluoromethyloxy)phenyl]amino]quinoline-4-carboxylic acid Openeye Name: 6-methyl-2-[4-(trifluoromethoxy)anilino]quinoline-4-carboxylic acid CAS Name: 6-methyl-2-[4-(trifluoromethoxy)anilino]-4-quinolinecarboxylic acid IUPAC Name: 6-methyl-2-[4-(trifluoromethoxy)anilino]quinoline-4-carboxylic acid Traditional Name: 6-methyl-2-[4-(trifluoromethoxy)anilino]cinchoninic acid Formula: C18H13F3N2O3 MolecularWeight: 362.30263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H13F3N2O3/c1-10-2-7-15-13(8-10)14(17(24)25)9-16(23-15)22-11-3-5-12(6-4-11)26-18(19,20)21/h2-9H,1H3,(H,22,23)(H,24,25)