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

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)methylamino]-2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-chlorobenzyl)amino]-2-cyano-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O3/c1-21(2,3)30-20(29)27-13-17(26-12-15-6-8-16(23)9-7-15)11-22(27,14-24)19(28)18-5-4-10-25-18/h6-9,17-18,25-26H,4-5,10-13H2,1-3H3