tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[4-(trifluoromethyl)phenyl]carbonylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[4-(trifluoromethyl)phenyl]carbonylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate CAS Name: 2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-4-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate Traditional Name: 2-cyano-2-prolyl-4-[[4-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H27F3N4O4 MolecularWeight: 480.48009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H27F3N4O4/c1-21(2,3)34-20(33)30-12-16(11-22(30,13-27)18(31)17-5-4-10-28-17)29-19(32)14-6-8-15(9-7-14)23(24,25)26/h6-9,16-17,28H,4-5,10-12H2,1-3H3,(H,29,32)