1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-3-methyl-2-oxidanyl-but-3-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-3-methyl-2-oxidanyl-but-3-enoate Openeye Name: quinuclidin-3-yl 2-cyclohexyl-2-hydroxy-3-methyl-but-3-enoate CAS Name: 2-cyclohexyl-2-hydroxy-3-methyl-3-butenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-cyclohexyl-2-hydroxy-3-methylbut-3-enoate Traditional Name: 2-cyclohexyl-2-hydroxy-3-methyl-but-3-enoic acid quinuclidin-3-yl ester Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-13(2)18(21,15-6-4-3-5-7-15)17(20)22-16-12-19-10-8-14(16)9-11-19/h14-16,21H,1,3-12H2,2H3