methyl (1S,4S,6R)-6-ethanoyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate

Systemtic Name: methyl (1S,4S,6R)-6-ethanoyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate Openeye Name: methyl (1S,4S,6R)-6-acetyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate CAS Name: (1S,4S,6R)-6-acetyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,6R)-6-acetyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylate Traditional Name: (1S,4S,6R)-6-acetyl-4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2-carboxylic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2(CN(C1C=C2)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-8(14)9-6-12(2)5-4-10(9)13(7-12)11(15)16-3/h4-5,9-10H,6-7H2,1-3H3/t9-,10-,12+/m0/s1