tert-butyl N-(1-butanoyl-2-cyano-4-fluoranyl-3-phenylmethoxy-pyrrolidin-2-yl)carbamate

Systemtic Name: tert-butyl N-(1-butanoyl-2-cyano-4-fluoranyl-3-phenylmethoxy-pyrrolidin-2-yl)carbamate Openeye Name: tert-butyl N-(3-benzyloxy-1-butanoyl-2-cyano-4-fluoro-pyrrolidin-2-yl)carbamate CAS Name: N-[2-cyano-4-fluoro-1-(1-oxobutyl)-3-phenylmethoxy-2-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-butanoyl-2-cyano-4-fluoro-3-phenylmethoxypyrrolidin-2-yl)carbamate Traditional Name: N-(3-benzoxy-1-butyryl-2-cyano-4-fluoro-pyrrolidin-2-yl)carbamic acid tert-butyl ester Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(C(C1(C#N)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2)F

Isomeric SMILES

CCCC(=O)N1CC(C(C1(C#N)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2)F

InChI

InChI=1S/C21H28FN3O4/c1-5-9-17(26)25-12-16(22)18(28-13-15-10-7-6-8-11-15)21(25,14-23)24-19(27)29-20(2,3)4/h6-8,10-11,16,18H,5,9,12-13H2,1-4H3,(H,24,27)