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

Systemtic Name: 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enyl-benzoic acid Openeye Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]benzoic acid CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enylbenzoic acid IUPAC Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)ethynyl]-3-prop-2-enylbenzoic acid Traditional Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-3-yl)ethynyl]benzoic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)C(=O)O)C#CC2(CN3CCC2CC3)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)C(=O)O)C#CC2(CN3CCC2CC3)O

InChI

InChI=1S/C19H21NO3/c1-2-3-15-12-16(18(21)22)5-4-14(15)6-9-19(23)13-20-10-7-17(19)8-11-20/h2,4-5,12,17,23H,1,3,7-8,10-11,13H2,(H,21,22)