2-ethynyl-5-(3-oxidanylbutyl)-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-5-(3-oxidanylbutyl)-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 3-benzyl-2-ethynyl-5-(3-hydroxybutyl)-2-(2-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-5-(3-hydroxybutyl)-3-(phenylmethyl)-2-(2-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 3-benzyl-2-ethynyl-5-(3-hydroxybutyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 3-benzyl-2-ethynyl-5-(3-hydroxybutyl)-2-(2-pyridyl)quinuclidin-3-ol Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1CN2CCC1C(C2(C#C)C3=CC=CC=N3)(CC4=CC=CC=C4)O)O

Isomeric SMILES

CC(CCC1CN2CCC1C(C2(C#C)C3=CC=CC=N3)(CC4=CC=CC=C4)O)O

InChI

InChI=1S/C25H30N2O2/c1-3-24(23-11-7-8-15-26-23)25(29,17-20-9-5-4-6-10-20)22-14-16-27(24)18-21(22)13-12-19(2)28/h1,4-11,15,19,21-22,28-29H,12-14,16-18H2,2H3