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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2C#CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CN2CCC1C(C2C#CC3=CC=C(C=C3)C(=O)O)O

InChI

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