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

Systemtic Name: (phenylmethyl) (1S,4S,8S)-8-ethanoyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: benzyl (1S,4S,8S)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4S,8S)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid benzyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H]1C[C@@H]2CN([C@H]1C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-12(19)15-9-14-7-8-16(15)18(10-14)17(20)21-11-13-5-3-2-4-6-13/h2-8,14-16H,9-11H2,1H3/t14-,15-,16+/m1/s1