1-[3-cyano-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-en-4-yl]ethyl ethanoate

Systemtic Name: 1-[3-cyano-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-en-4-yl]ethyl ethanoate Openeye Name: 1-(5-benzyl-3-cyano-5-azabicyclo[2.2.2]oct-2-en-4-yl)ethyl acetate CAS Name: acetic acid 1-[3-cyano-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-en-4-yl]ethyl ester IUPAC Name: 1-(5-benzyl-3-cyano-5-azabicyclo[2.2.2]oct-2-en-4-yl)ethyl acetate Traditional Name: acetic acid 1-(5-benzyl-3-cyano-5-azabicyclo[2.2.2]oct-2-en-4-yl)ethyl ester Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CCC(CN1CC3=CC=CC=C3)C=C2C#N)OC(=O)C

Isomeric SMILES

CC(C12CCC(CN1CC3=CC=CC=C3)C=C2C#N)OC(=O)C

InChI

InChI=1S/C19H22N2O2/c1-14(23-15(2)22)19-9-8-17(10-18(19)11-20)13-21(19)12-16-6-4-3-5-7-16/h3-7,10,14,17H,8-9,12-13H2,1-2H3