[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(3R)-quinuclidin-3-yl] 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-quinuclidin-3-yl] ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN2CCC1[C@H](C2)OC(=O)N3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C23H26N2O2/c26-23(27-22-16-24-12-10-18(22)11-13-24)25-14-19-8-4-5-9-20(19)21(15-25)17-6-2-1-3-7-17/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1