tert-butyl (1S,4R)-3-(6-methoxypyridin-3-yl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: tert-butyl (1S,4R)-3-(6-methoxypyridin-3-yl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: tert-butyl (1S,4R)-3-(6-methoxy-3-pyridyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: (1S,4R)-3-(6-methoxy-3-pyridinyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4R)-3-(6-methoxypyridin-3-yl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: (1S,4R)-3-(6-methoxy-3-pyridyl)-5-azabicyclo[2.2.1]hept-2-ene-5-carboxylic acid tert-butyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1C(=C2)C3=CN=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19-10-11-7-13(14(19)8-11)12-5-6-15(21-4)18-9-12/h5-7,9,11,14H,8,10H2,1-4H3/t11-,14-/m1/s1