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

Systemtic Name: 2-ethynyl-2-(3-oxidanylbut-1-ynyl)-4-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 4-benzyl-2-ethynyl-2-(3-hydroxybut-1-ynyl)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(3-hydroxybut-1-ynyl)-4-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 4-benzyl-2-ethynyl-2-(3-hydroxybut-1-ynyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 4-benzyl-2-ethynyl-2-(3-hydroxybut-1-ynyl)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C#C)O

Isomeric SMILES

CC(C#CC1(C(C2(CCN1CC2)CC3=CC=CC=C3)(C4=CN=CC=C4)O)C#C)O

InChI

InChI=1S/C25H26N2O2/c1-3-24(12-11-20(2)28)25(29,22-10-7-15-26-19-22)23(13-16-27(24)17-14-23)18-21-8-5-4-6-9-21/h1,4-10,15,19-20,28-29H,13-14,16-18H2,2H3