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

Systemtic Name: methyl (1S,4S,8S)-8-ethanoyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-8-acetyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-8-acetyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-8-acetyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-8-acetyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(CC1CN2C(=O)OC)C(=O)C

Isomeric SMILES

CCC1=C[C@H]2[C@H](C[C@@H]1CN2C(=O)OC)C(=O)C

InChI

InChI=1S/C13H19NO3/c1-4-9-6-12-11(8(2)15)5-10(9)7-14(12)13(16)17-3/h6,10-12H,4-5,7H2,1-3H3/t10-,11-,12+/m1/s1