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

Systemtic Name: ethyl 5-(cyclopropylmethyl)-2-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: ethyl 6-benzyl-5-(cyclopropylmethyl)-2-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: 5-(cyclopropylmethyl)-2-methyl-6-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-5-(cyclopropylmethyl)-2-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: 6-benzyl-5-(cyclopropylmethyl)-2-methyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(N(C1C=C2C)CC3CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC2C(N(C1C=C2C)CC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29NO2/c1-3-25-22(24)19-13-18-15(2)11-20(19)23(14-17-9-10-17)21(18)12-16-7-5-4-6-8-16/h4-8,11,17-21H,3,9-10,12-14H2,1-2H3