(3E)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(3-phenylmethoxyphenyl)cyclohexane-1-carbonitrile

Systemtic Name: (3E)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(3-phenylmethoxyphenyl)cyclohexane-1-carbonitrile Openeye Name: (3E)-1-(3-benzyloxyphenyl)-3-[hydroxy(methoxy)methylene]-4-oxo-cyclohexanecarbonitrile CAS Name: (3E)-3-[hydroxy(methoxy)methylidene]-4-oxo-1-(3-phenylmethoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: (3E)-3-[hydroxy(methoxy)methylidene]-4-oxo-1-(3-phenylmethoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: (3E)-1-(3-benzoxyphenyl)-3-[hydroxy(methoxy)methylene]-4-keto-cyclohexanecarbonitrile Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CC(CCC1=O)(C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CO/C(=C/1\CC(CCC1=O)(C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3)/O

InChI

InChI=1S/C22H21NO4/c1-26-21(25)19-13-22(15-23,11-10-20(19)24)17-8-5-9-18(12-17)27-14-16-6-3-2-4-7-16/h2-9,12,25H,10-11,13-14H2,1H3/b21-19+