1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: 1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] quinuclidine-2-carboxylate CAS Name: 1-azabicyclo[2.2.2]octane-2-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-2-carboxylate Traditional Name: quinuclidine-2-carboxylic acid [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

Isomeric SMILES

C1CN2CCC1CC2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

InChI

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