ethyl (1R,6R)-5-pyridin-3-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate

Systemtic Name: ethyl (1R,6R)-5-pyridin-3-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Openeye Name: ethyl (1R,6R)-5-(3-pyridyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate CAS Name: (1R,6R)-5-(3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R)-5-pyridin-3-yl-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate Traditional Name: (1R,6R)-5-(3-pyridyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC=C(C1CC2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1[C@@H]2CCC=C([C@H]1CC2)C3=CN=CC=C3

InChI

InChI=1S/C16H20N2O2/c1-2-20-16(19)18-13-6-3-7-14(15(18)9-8-13)12-5-4-10-17-11-12/h4-5,7,10-11,13,15H,2-3,6,8-9H2,1H3/t13-,15-/m1/s1