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

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)carbonylamino]-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]-2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-chlorobenzoyl)amino]-2-cyano-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O4/c1-21(2,3)31-20(30)27-12-16(26-19(29)14-6-8-15(23)9-7-14)11-22(27,13-24)18(28)17-5-4-10-25-17/h6-9,16-17,25H,4-5,10-12H2,1-3H3,(H,26,29)