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

Systemtic Name: 2-ethynyl-6-(2-hydroxyphenyl)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(2-hydroxyphenyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(2-hydroxyphenyl)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(2-hydroxyphenyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(2-hydroxyphenyl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CC=CC=C3O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CC=CC=C3O)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2/c1-2-26(18-20-9-4-3-5-10-20)27(31,22-11-8-15-28-19-22)21-14-16-29(26)24(17-21)23-12-6-7-13-25(23)30/h1,3-13,15,19,21,24,30-31H,14,16-18H2