1-azabicyclo[2.2.2]octan-3-yl 4-tert-butylbenzoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-tert-butylbenzoate Openeye Name: quinuclidin-3-yl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid quinuclidin-3-yl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CN3CCC2CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CN3CCC2CC3

InChI

InChI=1S/C18H25NO2/c1-18(2,3)15-6-4-14(5-7-15)17(20)21-16-12-19-10-8-13(16)9-11-19/h4-7,13,16H,8-12H2,1-3H3