ethyl 8-ethyl-3,4-dimethyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate

Systemtic Name: ethyl 8-ethyl-3,4-dimethyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate Openeye Name: ethyl 2-benzyl-8-ethyl-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate CAS Name: 8-ethyl-3,4-dimethyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-8-ethyl-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate Traditional Name: 2-benzyl-8-ethyl-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid ethyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(CC1(C(N2CC3=CC=CC=C3)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC2C(CC1(C(N2CC3=CC=CC=C3)C)C)C(=O)OCC

InChI

InChI=1S/C21H29NO2/c1-5-17-12-19-18(20(23)24-6-2)13-21(17,4)15(3)22(19)14-16-10-8-7-9-11-16/h7-12,15,18-19H,5-6,13-14H2,1-4H3