[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18F3N3O3/c22-21(23,24)16-7-8-18(27-9-1-2-10-27)17(11-16)26-19(28)13-30-20(29)15-5-3-14(12-25)4-6-15/h3-8,11H,1-2,9-10,13H2,(H,26,28)