methyl 4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbonylamino)phenyl]benzoate

Systemtic Name: methyl 4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbonylamino)phenyl]benzoate Openeye Name: methyl 4-[4-(quinuclidine-3-carbonylamino)phenyl]benzoate CAS Name: 4-[4-[[1-azabicyclo[2.2.2]octan-3-yl(oxo)methyl]amino]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]benzoate Traditional Name: 4-[4-(quinuclidine-3-carbonylamino)phenyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3CN4CCC3CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3CN4CCC3CC4

InChI

InChI=1S/C22H24N2O3/c1-27-22(26)18-4-2-15(3-5-18)16-6-8-19(9-7-16)23-21(25)20-14-24-12-10-17(20)11-13-24/h2-9,17,20H,10-14H2,1H3,(H,23,25)