[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C22H18ClF3N2O3 MolecularWeight: 450.83813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C22H18ClF3N2O3/c1-12(2)19-10-15(14-5-3-4-6-17(14)27-19)21(30)31-11-20(29)28-18-8-7-13(23)9-16(18)22(24,25)26/h3-10,12H,11H2,1-2H3,(H,28,29)