[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C21H16ClF3N2O3 MolecularWeight: 436.81155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H16ClF3N2O3/c22-14-6-9-18(16(11-14)21(23,24)25)27-19(28)12-30-20(29)10-8-15-7-5-13-3-1-2-4-17(13)26-15/h1-7,9,11H,8,10,12H2,(H,27,28)