tert-butyl 4-[(4-chlorophenyl)carbonylamino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)carbonylamino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorobenzoyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-chlorobenzoyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)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(CC1C(=O)N2CCCC2C#N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC(=O)C3=CC=C(C=C3)Cl

InChI

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