[(1S,4R,5R)-2-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[2.2.2]octan-5-yl] ethanoate

Systemtic Name: [(1S,4R,5R)-2-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[2.2.2]octan-5-yl] ethanoate Openeye Name: [(1S,4R,5R)-3-benzyl-2-oxo-3-azabicyclo[2.2.2]octan-5-yl] acetate CAS Name: acetic acid [(1S,4R,5R)-2-oxo-3-(phenylmethyl)-3-azabicyclo[2.2.2]octan-5-yl] ester IUPAC Name: [(1S,4R,5R)-3-benzyl-2-oxo-3-azabicyclo[2.2.2]octan-5-yl] acetate Traditional Name: acetic acid [(1S,4R,5R)-3-benzyl-2-keto-3-azabicyclo[2.2.2]octan-5-yl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2CCC1N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2CC[C@H]1N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H19NO3/c1-11(18)20-15-9-13-7-8-14(15)17(16(13)19)10-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13-,14+,15+/m0/s1