ethyl 1-[2-ethyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-ethyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-benzyl-6-ethyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[2-ethyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzyl-2-ethyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)piperidine-4-carboxylate Traditional Name: 1-[6-benzyl-6-ethyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]isonipecotic acid ethyl ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C2CCN1C(C2)N3CCC(CC3)C(=O)OCC)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

CCC1(C(C2CCN1C(C2)N3CCC(CC3)C(=O)OCC)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C29H39N3O3/c1-3-28(20-22-9-6-5-7-10-22)29(34,25-11-8-15-30-21-25)24-14-18-32(28)26(19-24)31-16-12-23(13-17-31)27(33)35-4-2/h5-11,15,21,23-24,26,34H,3-4,12-14,16-20H2,1-2H3