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

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 5-methyl-2-oxidanyl-2-propan-2-yl-hex-5-en-3-ynoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-propan-2-ylhex-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-hydroxy-5-methyl-2-propan-2-ylhex-5-en-3-ynoate Traditional Name: 2-hydroxy-2-isopropyl-5-methyl-hex-5-en-3-ynoic acid quinuclidin-3-yl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-12(2)5-8-17(20,13(3)4)16(19)21-15-11-18-9-6-14(15)7-10-18/h13-15,20H,1,6-7,9-11H2,2-4H3