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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-5-methyl-2-oxidanyl-hex-5-en-3-ynoate Openeye Name: quinuclidin-3-yl 2-cyclohexyl-2-hydroxy-5-methyl-hex-5-en-3-ynoate CAS Name: 2-cyclohexyl-2-hydroxy-5-methylhex-5-en-3-ynoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxy-5-methylhex-5-en-3-ynoate Traditional Name: 2-cyclohexyl-2-hydroxy-5-methyl-hex-5-en-3-ynoic acid quinuclidin-3-yl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CC(=C)C#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C20H29NO3/c1-15(2)8-11-20(23,17-6-4-3-5-7-17)19(22)24-18-14-21-12-9-16(18)10-13-21/h16-18,23H,1,3-7,9-10,12-14H2,2H3