[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C24H22ClF3N2O3 MolecularWeight: 478.89129

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C24H22ClF3N2O3/c1-3-7-18-15(4-2)22(16-8-5-6-9-19(16)29-18)23(32)33-13-21(31)30-20-12-14(24(26,27)28)10-11-17(20)25/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,30,31)