(phenylmethyl) (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate

Systemtic Name: (phenylmethyl) (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Openeye Name: benzyl (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate CAS Name: (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate Traditional Name: (1R,2R,4S)-2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid benzyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1C(N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]2C=C[C@@H]1[C@@H](N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c23-21(24-15-16-7-3-1-4-8-16)22-19-13-11-18(12-14-19)20(22)17-9-5-2-6-10-17/h1-11,13,18-20H,12,14-15H2/t18-,19+,20-/m0/s1