2-ethynyl-6-(4-oxidanylcyclohexen-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-6-(4-oxidanylcyclohexen-1-yl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(4-hydroxycyclohexen-1-yl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(4-hydroxy-1-cyclohexenyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(4-hydroxycyclohexen-1-yl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(4-hydroxycyclohexen-1-yl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CCC(CC3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CCC(CC3)O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2/c1-2-26(18-20-7-4-3-5-8-20)27(31,23-9-6-15-28-19-23)22-14-16-29(26)25(17-22)21-10-12-24(30)13-11-21/h1,3-10,15,19,22,24-25,30-31H,11-14,16-18H2