[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C21H16F4N2O3 MolecularWeight: 420.356953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)F

InChI

InChI=1S/C21H16F4N2O3/c1-12-6-7-13(8-16(12)22)9-27-18(28)11-30-20(29)15-10-26-17-5-3-2-4-14(17)19(15)21(23,24)25/h2-8,10H,9,11H2,1H3,(H,27,28)