(2E)-2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2E)-2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2E)-2-[(4-benzyloxyphenyl)methylene]quinuclidin-3-one CAS Name: (2E)-2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2E)-2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2E)-2-(4-benzoxybenzylidene)quinuclidin-3-one Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN\2CCC1C(=O)/C2=C\C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c23-21-18-10-12-22(13-11-18)20(21)14-16-6-8-19(9-7-16)24-15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b20-14+