methyl 8-(4-azanylbutyl)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 8-(4-azanylbutyl)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 8-(4-aminobutyl)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 8-(4-aminobutyl)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 8-(4-aminobutyl)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-(4-aminobutyl)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCCN)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C2CCC(N2CCCCN)CC1OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H28N2O4/c1-25-20(24)18-16-10-9-15(22(16)12-6-5-11-21)13-17(18)26-19(23)14-7-3-2-4-8-14/h2-4,7-8,15-18H,5-6,9-13,21H2,1H3