1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-non-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-non-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-non-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-nonynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylnon-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-non-3-ynoic acid quinuclidin-3-yl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CCCCCC#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C22H29NO3/c1-2-3-4-5-9-14-22(25,19-10-7-6-8-11-19)21(24)26-20-17-23-15-12-18(20)13-16-23/h6-8,10-11,18,20,25H,2-5,12-13,15-17H2,1H3