4-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]-1-methoxy-butan-2-one

Systemtic Name: 4-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]-1-methoxy-butan-2-one Openeye Name: 4-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]-1-methoxy-butan-2-one CAS Name: 4-[2-ethynyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]-1-methoxy-2-butanone IUPAC Name: 4-(2-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)-1-methoxybutan-2-one Traditional Name: 4-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]-1-methoxy-butan-2-one Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)CCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

Isomeric SMILES

COCC(=O)CCC1CC2CCN1C(C2(C3=CN=CC=C3)O)(CC4=CC=CC=C4)C#C

InChI

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