methyl (1S,2R,3S,4S)-3-ethyl-2-oxidanyl-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate

Systemtic Name: methyl (1S,2R,3S,4S)-3-ethyl-2-oxidanyl-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: methyl (1S,2R,3S,4S)-3-ethyl-2-hydroxy-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: (1S,2R,3S,4S)-3-ethyl-2-hydroxy-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3S,4S)-3-ethyl-2-hydroxy-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: (1S,2R,3S,4S)-3-ethyl-2-hydroxy-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester Formula: C11H17NO3 MolecularWeight: 211.25758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2C=CC(C1O)CN2C(=O)OC

Isomeric SMILES

CC[C@H]1[C@@H]2C=C[C@H]([C@H]1O)CN2C(=O)OC

InChI

InChI=1S/C11H17NO3/c1-3-8-9-5-4-7(10(8)13)6-12(9)11(14)15-2/h4-5,7-10,13H,3,6H2,1-2H3/t7-,8-,9-,10+/m0/s1