1,4-diazabicyclo[2.2.2]octan-3-ylmethyl benzoate

Systemtic Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl benzoate Openeye Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl benzoate CAS Name: benzoic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester IUPAC Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl benzoate Traditional Name: benzoic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN2CCN1CC2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H18N2O2/c17-14(12-4-2-1-3-5-12)18-11-13-10-15-6-8-16(13)9-7-15/h1-5,13H,6-11H2