ethyl 4-(2-ethynyl-3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)benzoate

Systemtic Name: ethyl 4-(2-ethynyl-3-oxidanyl-1-azabicyclo[2.2.2]octan-2-yl)benzoate Openeye Name: ethyl 4-(2-ethynyl-3-hydroxy-quinuclidin-2-yl)benzoate CAS Name: 4-(2-ethynyl-3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-ethynyl-3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)benzoate Traditional Name: 4-(2-ethynyl-3-hydroxy-quinuclidin-2-yl)benzoic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2(C(C3CCN2CC3)O)C#C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2(C(C3CCN2CC3)O)C#C

InChI

InChI=1S/C18H21NO3/c1-3-18(16(20)13-9-11-19(18)12-10-13)15-7-5-14(6-8-15)17(21)22-4-2/h1,5-8,13,16,20H,4,9-12H2,2H3