tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(1,3-benzoxazol-2-ylamino)-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzoxazol-2-ylamino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(1,3-benzoxazol-2-ylamino)-2-(2-cyanopyrrolidine-1-carbonyl)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(CC1C(=O)N2CCCC2C#N)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=NC4=CC=CC=C4O3

InChI

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