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

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-phenylazanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-anilino-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-anilino-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-anilino-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-anilino-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)25-14-16(23-15-8-5-4-6-9-15)12-18(25)19(26)24-11-7-10-17(24)13-22/h4-6,8-9,16-18,23H,7,10-12,14H2,1-3H3