(2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) benzoate

Systemtic Name: (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) benzoate Openeye Name: (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) benzoate CAS Name: benzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) ester IUPAC Name: (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) benzoate Traditional Name: benzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(N1OC(=O)C3=CC=CC=C3)C=C2)C

Isomeric SMILES

CC1(C2CCC(N1OC(=O)C3=CC=CC=C3)C=C2)C

InChI

InChI=1S/C16H19NO2/c1-16(2)13-8-10-14(11-9-13)17(16)19-15(18)12-6-4-3-5-7-12/h3-8,10,13-14H,9,11H2,1-2H3