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

Systemtic Name: ethyl 2-(2-methoxyethyl)-5-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: ethyl 6-benzyl-2-(2-methoxyethyl)-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: 2-(2-methoxyethyl)-5-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(2-methoxyethyl)-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: 6-benzyl-2-(2-methoxyethyl)-5-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(N(C1C=C2CCOC)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC2C(N(C1C=C2CCOC)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H29NO3/c1-4-25-21(23)18-14-17-16(10-11-24-3)13-20(18)22(2)19(17)12-15-8-6-5-7-9-15/h5-9,13,17-20H,4,10-12,14H2,1-3H3