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

Systemtic Name: (phenylmethyl) (1S,4S,8S)-8-methanoyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: benzyl (1S,4S,8S)-8-formyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-8-formyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4S,8S)-8-formyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-8-formyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(C1C=O)C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H]2CN([C@H]([C@H]1C=O)C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO3/c18-10-14-8-13-6-7-15(14)17(9-13)16(19)20-11-12-4-2-1-3-5-12/h1-7,10,13-15H,8-9,11H2/t13-,14-,15+/m1/s1