[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methylphenyl)carbamate

Systemtic Name: [2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methylphenyl)carbamate Openeye Name: [2-(3-pyridylmethyl)quinuclidin-3-yl] N-(p-tolyl)carbamate CAS Name: N-(4-methylphenyl)carbamic acid [2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-methylphenyl)carbamate Traditional Name: N-(p-tolyl)carbamic acid [2-(3-pyridylmethyl)quinuclidin-3-yl] ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC2C3CCN(C2CC4=CN=CC=C4)CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)OC2C3CCN(C2CC4=CN=CC=C4)CC3

InChI

InChI=1S/C21H25N3O2/c1-15-4-6-18(7-5-15)23-21(25)26-20-17-8-11-24(12-9-17)19(20)13-16-3-2-10-22-14-16/h2-7,10,14,17,19-20H,8-9,11-13H2,1H3,(H,23,25)