2-ethyl-5-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: 2-ethyl-5-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: 6-benzyl-2-ethyl-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: 2-ethyl-5-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate IUPAC Name: 6-benzyl-2-ethyl-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: 6-benzyl-2-ethyl-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Formula: C18H22NO2- MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(CC1C(N2C)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC2C(CC1C(N2C)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H23NO2/c1-3-13-10-17-15(18(20)21)11-14(13)16(19(17)2)9-12-7-5-4-6-8-12/h4-8,10,14-17H,3,9,11H2,1-2H3,(H,20,21)/p-1