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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-tert-butyl-5-methyl-2-oxidanyl-hex-5-en-3-ynoate Openeye Name: quinuclidin-3-yl 2-tert-butyl-2-hydroxy-5-methyl-hex-5-en-3-ynoate CAS Name: 2-tert-butyl-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-tert-butyl-2-hydroxy-5-methylhex-5-en-3-ynoate Traditional Name: 2-tert-butyl-2-hydroxy-5-methyl-hex-5-en-3-ynoic acid quinuclidin-3-yl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC(C(=O)OC1CN2CCC1CC2)(C(C)(C)C)O

Isomeric SMILES

CC(=C)C#CC(C(=O)OC1CN2CCC1CC2)(C(C)(C)C)O

InChI

InChI=1S/C18H27NO3/c1-13(2)6-9-18(21,17(3,4)5)16(20)22-15-12-19-10-7-14(15)8-11-19/h14-15,21H,1,7-8,10-12H2,2-5H3