4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]benzoic acid CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]benzoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(C#CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CN2CCC1C(C2)(C#CC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C16H17NO3/c18-15(19)13-3-1-12(2-4-13)5-8-16(20)11-17-9-6-14(16)7-10-17/h1-4,14,20H,6-7,9-11H2,(H,18,19)