3-[4-(2-phenylethynyl)phenoxy]-1-azabicyclo[2.2.2]octane

Systemtic Name: 3-[4-(2-phenylethynyl)phenoxy]-1-azabicyclo[2.2.2]octane Openeye Name: 3-[4-(2-phenylethynyl)phenoxy]quinuclidine CAS Name: 3-[4-(2-phenylethynyl)phenoxy]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-[4-(2-phenylethynyl)phenoxy]-1-azabicyclo[2.2.2]octane Traditional Name: 3-[4-(2-phenylethynyl)phenoxy]quinuclidine Formula: C21H21NO MolecularWeight: 303.39754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)OC3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H21NO/c1-2-4-17(5-3-1)6-7-18-8-10-20(11-9-18)23-21-16-22-14-12-19(21)13-15-22/h1-5,8-11,19,21H,12-16H2