ethyl (4S,5S)-5-ethenyl-3-oxidanylidene-1-azabicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: ethyl (4S,5S)-5-ethenyl-3-oxidanylidene-1-azabicyclo[2.2.2]octane-4-carboxylate Openeye Name: ethyl (4S,5S)-3-oxo-5-vinyl-quinuclidine-4-carboxylate CAS Name: (4S,5S)-5-ethenyl-3-oxo-1-azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-5-ethenyl-3-oxo-1-azabicyclo[2.2.2]octane-4-carboxylate Traditional Name: (4S,5S)-3-keto-5-vinyl-quinuclidine-4-carboxylic acid ethyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCN(CC1C=C)CC2=O

Isomeric SMILES

CCOC(=O)[C@@]12CCN(C[C@H]1C=C)CC2=O

InChI

InChI=1S/C12H17NO3/c1-3-9-7-13-6-5-12(9,10(14)8-13)11(15)16-4-2/h3,9H,1,4-8H2,2H3/t9-,12+/m1/s1