tert-butyl (1R,3R,4R,5S)-4-cyano-3-oxidanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1R,3R,4R,5S)-4-cyano-3-oxidanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1R,3R,4R,5S)-4-cyano-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,3R,4R,5S)-4-cyano-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,3R,4R,5S)-4-cyano-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,3R,4R,5S)-4-cyano-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1C(C(C2)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)O)C#N

InChI

InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-8-4-5-10(15)9(7-14)11(16)6-8/h8-11,16H,4-6H2,1-3H3/t8-,9+,10+,11-/m1/s1