tert-butyl (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: tert-butyl (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: tert-butyl (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4R,5S)-5-phenyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1C2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2C3=CC=CC=C3

InChI

InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-10-12-9-13(17)14(12)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3/t12-,13-,14-/m1/s1