(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 5-methyl-2-oxidanyl-2-phenyl-hex-5-en-3-ynoate

Systemtic Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 5-methyl-2-oxidanyl-2-phenyl-hex-5-en-3-ynoate Openeye Name: (2-methylquinuclidin-3-yl) 2-hydroxy-5-methyl-2-phenyl-hex-5-en-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoic acid (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate Traditional Name: 2-hydroxy-5-methyl-2-phenyl-hex-5-en-3-ynoic acid (2-methylquinuclidin-3-yl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3=CC=CC=C3)O

Isomeric SMILES

CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO3/c1-15(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-16(3)22-13-10-17(19)11-14-22/h4-8,16-17,19,24H,1,10-11,13-14H2,2-3H3