4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbonylamino)phenyl]benzoic acid

Systemtic Name: 4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbonylamino)phenyl]benzoic acid Openeye Name: 4-[4-(quinuclidine-3-carbonylamino)phenyl]benzoic acid CAS Name: 4-[4-[[1-azabicyclo[2.2.2]octan-3-yl(oxo)methyl]amino]phenyl]benzoic acid IUPAC Name: 4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]benzoic acid Traditional Name: 4-[4-(quinuclidine-3-carbonylamino)phenyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)C(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N2O3/c24-20(19-13-23-11-9-16(19)10-12-23)22-18-7-5-15(6-8-18)14-1-3-17(4-2-14)21(25)26/h1-8,16,19H,9-13H2,(H,22,24)(H,25,26)