tert-butyl 4-(4-aminophenyl)carbonyloxy-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-aminophenyl)carbonyloxy-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-aminobenzoyl)oxy-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-aminophenyl)-oxomethoxy]-2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-aminobenzoyl)oxy-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-aminobenzoyl)oxy-2-cyano-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-21(2,3)31-20(29)26-12-16(30-19(28)14-6-8-15(24)9-7-14)11-22(26,13-23)18(27)17-5-4-10-25-17/h6-9,16-17,25H,4-5,10-12,24H2,1-3H3