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

Systemtic Name: tert-butyl 2-cyano-4-[(4-cyanophenyl)carbonylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(4-cyanobenzoyl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[[(4-cyanophenyl)-oxomethyl]amino]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(4-cyanobenzoyl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(4-cyanobenzoyl)amino]-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-22(2,3)32-21(31)28-13-17(27-20(30)16-8-6-15(12-24)7-9-16)11-23(28,14-25)19(29)18-5-4-10-26-18/h6-9,17-18,26H,4-5,10-11,13H2,1-3H3,(H,27,30)