tert-butyl (1R,4R,5S)-5-pyridin-3-yl-3-azabicyclo[2.2.1]heptane-3-carboxylate

Systemtic Name: tert-butyl (1R,4R,5S)-5-pyridin-3-yl-3-azabicyclo[2.2.1]heptane-3-carboxylate Openeye Name: tert-butyl (1R,4R,5S)-5-(3-pyridyl)-3-azabicyclo[2.2.1]heptane-3-carboxylate CAS Name: (1R,4R,5S)-5-(3-pyridinyl)-3-azabicyclo[2.2.1]heptane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,4R,5S)-5-pyridin-3-yl-3-azabicyclo[2.2.1]heptane-3-carboxylate Traditional Name: (1R,4R,5S)-5-(3-pyridyl)-3-azabicyclo[2.2.1]heptane-3-carboxylic acid tert-butyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([C@H]1C2)C3=CN=CC=C3

InChI

InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-10-11-7-13(14(18)8-11)12-5-4-6-17-9-12/h4-6,9,11,13-14H,7-8,10H2,1-3H3/t11-,13+,14-/m1/s1