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

Systemtic Name: (phenylmethyl) (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: benzyl (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid benzyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(C1C3=CC=CC=C3)C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CN([C@H]([C@@H]1C3=CC=CC=C3)C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c23-21(24-15-16-7-3-1-4-8-16)22-14-17-11-12-20(22)19(13-17)18-9-5-2-6-10-18/h1-12,17,19-20H,13-15H2/t17-,19+,20+/m1/s1