tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(1,3-benzoxazol-2-ylamino)-2-cyano-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H27N5O4/c1-21(2,3)31-20(29)27-12-14(25-19-26-15-7-4-5-9-17(15)30-19)11-22(27,13-23)18(28)16-8-6-10-24-16/h4-5,7,9,14,16,24H,6,8,10-12H2,1-3H3,(H,25,26)