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

Systemtic Name: ethyl 1-[2-ethynyl-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-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[2-ethynyl-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-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)piperidine-4-carboxylate Traditional Name: 1-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]isonipecotic acid ethyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2CC3CCN2C(C3(C4=CN=CC=C4)O)(CC5=CC=CC=C5)C#C

InChI

InChI=1S/C29H35N3O3/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/h1,5-11,15,21,23-24,26,34H,4,12-14,16-20H2,2H3