ethyl (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Systemtic Name: ethyl (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: ethyl (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: (1S,2S,4R)-2-propyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid ethyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2CCC(N1C(=O)OCC)C=C2

Isomeric SMILES

CCC[C@H]1[C@H]2CC[C@@H](N1C(=O)OCC)C=C2

InChI

InChI=1S/C13H21NO2/c1-3-5-12-10-6-8-11(9-7-10)14(12)13(15)16-4-2/h6,8,10-12H,3-5,7,9H2,1-2H3/t10-,11+,12+/m1/s1