1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: 1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] quinuclidine-3-carboxylate CAS Name: 1-azabicyclo[2.2.2]octane-3-carboxylic acid 1,7-bis(3-pyridinyl)heptan-4-yl ester IUPAC Name: 1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: quinuclidine-3-carboxylic acid [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

InChI

InChI=1S/C25H33N3O2/c29-25(24-19-28-15-11-22(24)12-16-28)30-23(9-1-5-20-7-3-13-26-17-20)10-2-6-21-8-4-14-27-18-21/h3-4,7-8,13-14,17-18,22-24H,1-2,5-6,9-12,15-16,19H2