tert-butyl 4-benzamido-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-benzamido-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-benzamido-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-benzamido-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzamido-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-benzamido-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)26-14-16(24-19(27)15-8-5-4-6-9-15)12-18(26)20(28)25-11-7-10-17(25)13-23/h4-6,8-9,16-18H,7,10-12,14H2,1-3H3,(H,24,27)