2-[(4-tert-butylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-[(4-tert-butylphenyl)methylene]quinuclidin-3-one CAS Name: 2-[(4-tert-butylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[(4-tert-butylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-(4-tert-butylbenzylidene)quinuclidin-3-one Formula: C18H23NO MolecularWeight: 269.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3CCN2CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3CCN2CC3

InChI

InChI=1S/C18H23NO/c1-18(2,3)15-6-4-13(5-7-15)12-16-17(20)14-8-10-19(16)11-9-14/h4-7,12,14H,8-11H2,1-3H3