methyl 8-ethanoyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

Systemtic Name: methyl 8-ethanoyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Openeye Name: methyl 8-acetyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate CAS Name: 8-acetyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester IUPAC Name: methyl 8-acetyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Traditional Name: 8-acetyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2CN(C1C(=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1CC2CN(C1C(=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-12(20)15-8-14-9-16(18(21)22-2)17(15)19(11-14)10-13-6-4-3-5-7-13/h3-7,9,14-15,17H,8,10-11H2,1-2H3