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

Systemtic Name: methyl (1S,4R,8R)-8-ethanoyl-3-methyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4R,8R)-8-acetyl-3-methyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4R,8R)-8-acetyl-3-methyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,8R)-8-acetyl-3-methyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4R,8R)-8-acetyl-3-methyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2CC(C1N(C2)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C[C@@H]2C[C@H]([C@H]1N(C2)C(=O)OC)C(=O)C

InChI

InChI=1S/C12H17NO3/c1-7-4-9-5-10(8(2)14)11(7)13(6-9)12(15)16-3/h4,9-11H,5-6H2,1-3H3/t9-,10+,11+/m1/s1