4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoate Formula: C25H19FNO4- MolecularWeight: 416.421063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)F)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)F)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C25H20FNO4/c1-2-30-24-14-18(13-21(15-27)19-8-10-22(26)11-9-19)5-12-23(24)31-16-17-3-6-20(7-4-17)25(28)29/h3-14H,2,16H2,1H3,(H,28,29)/p-1/b21-13-