[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-14(19(27)26-11-4-5-12-26)29-20(28)17-9-2-3-10-18(17)25-16-8-6-7-15(13-16)21(22,23)24/h2-3,6-10,13-14,25H,4-5,11-12H2,1H3/t14-/m0/s1