diethyl 3,8-diethyl-4-methyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]octane-6,6-dicarboxylate

Systemtic Name: diethyl 3,8-diethyl-4-methyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]octane-6,6-dicarboxylate Openeye Name: diethyl 2-benzyl-3,8-diethyl-4-methyl-2-azabicyclo[2.2.2]octane-6,6-dicarboxylate CAS Name: 3,8-diethyl-4-methyl-2-(phenylmethyl)-2-azabicyclo[2.2.2]octane-6,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-benzyl-3,8-diethyl-4-methyl-2-azabicyclo[2.2.2]octane-6,6-dicarboxylate Traditional Name: 2-benzyl-3,8-diethyl-4-methyl-2-azabicyclo[2.2.2]octane-6,6-dicarboxylic acid diethyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2C(CC1(C(N2CC3=CC=CC=C3)CC)C)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1CC2C(CC1(C(N2CC3=CC=CC=C3)CC)C)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C25H37NO4/c1-6-19-15-21-25(22(27)29-8-3,23(28)30-9-4)17-24(19,5)20(7-2)26(21)16-18-13-11-10-12-14-18/h10-14,19-21H,6-9,15-17H2,1-5H3