ethyl 3-[2-ethynyl-3-oxidanyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-5-yl]propanoate

Systemtic Name: ethyl 3-[2-ethynyl-3-oxidanyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-5-yl]propanoate Openeye Name: ethyl 3-[5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidin-3-yl]propanoate CAS Name: 3-[2-ethynyl-3-hydroxy-3-(phenylmethyl)-2-(2-pyridinyl)-1-azabicyclo[2.2.2]octan-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-benzyl-2-ethynyl-3-hydroxy-2-pyridin-2-yl-1-azabicyclo[2.2.2]octan-5-yl)propanoate Traditional Name: 3-[5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidin-3-yl]propionic acid ethyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-3-25(23-12-8-9-16-27-23)26(30,18-20-10-6-5-7-11-20)22-15-17-28(25)19-21(22)13-14-24(29)31-4-2/h1,5-12,16,21-22,30H,4,13-15,17-19H2,2H3