tert-butyl (1S,4R)-5-phenyl-5-pyridin-2-yl-bicyclo[2.1.1]hexane-6-carboxylate

Systemtic Name: tert-butyl (1S,4R)-5-phenyl-5-pyridin-2-yl-bicyclo[2.1.1]hexane-6-carboxylate Openeye Name: tert-butyl (1S,4R)-5-phenyl-5-(2-pyridyl)bicyclo[2.1.1]hexane-6-carboxylate CAS Name: (1S,4R)-5-phenyl-5-(2-pyridinyl)-6-bicyclo[2.1.1]hexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4R)-5-phenyl-5-pyridin-2-ylbicyclo[2.1.1]hexane-6-carboxylate Traditional Name: (1S,4R)-5-phenyl-5-(2-pyridyl)bicyclo[2.1.1]hexane-6-carboxylic acid tert-butyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C2CCC1C2(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)C1[C@H]2CC[C@@H]1C2(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C22H25NO2/c1-21(2,3)25-20(24)19-16-12-13-17(19)22(16,15-9-5-4-6-10-15)18-11-7-8-14-23-18/h4-11,14,16-17,19H,12-13H2,1-3H3/t16-,17+,19?,22?