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

Systemtic Name: 4-[2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enyl-benzoic acid Openeye Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enylbenzoic acid IUPAC Name: 4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]-3-prop-2-enylbenzoic acid Traditional Name: 3-allyl-4-[2-(3-hydroxyquinuclidin-2-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#CC2C(C3CCN2CC3)O

Isomeric SMILES

C=CCC1=C(C=CC(=C1)C(=O)O)C#CC2C(C3CCN2CC3)O

InChI

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