(2Z)-2-[[4-(2-ethylhexoxy)-3-oxidanyl-phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2Z)-2-[[4-(2-ethylhexoxy)-3-oxidanyl-phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2Z)-2-[[4-(2-ethylhexoxy)-3-hydroxy-phenyl]methylene]quinuclidin-3-one CAS Name: (2Z)-2-[[4-(2-ethylhexoxy)-3-hydroxyphenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2Z)-2-[[4-(2-ethylhexoxy)-3-hydroxyphenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2Z)-2-[4-(2-ethylhexoxy)-3-hydroxy-benzylidene]quinuclidin-3-one Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=C(C=C1)C=C2C(=O)C3CCN2CC3)O

Isomeric SMILES

CCCCC(CC)COC1=C(C=C(C=C1)/C=C\2/C(=O)C3CCN2CC3)O

InChI

InChI=1S/C22H31NO3/c1-3-5-6-16(4-2)15-26-21-8-7-17(14-20(21)24)13-19-22(25)18-9-11-23(19)12-10-18/h7-8,13-14,16,18,24H,3-6,9-12,15H2,1-2H3/b19-13-