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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-pent-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-pent-3-ynoate CAS Name: 2-hydroxy-2-phenyl-3-pentynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate Traditional Name: 2-hydroxy-2-phenyl-pent-3-ynoic acid quinuclidin-3-yl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h3-7,14,16,21H,8-9,11-13H2,1H3