4-[[4-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-cyano-2-(2-fluorophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-2-(2-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-cyano-2-(2-fluorophenyl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C25H20FNO4 MolecularWeight: 417.429003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2F)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2F)OCC3=CC=C(C=C3)C(=O)O

InChI

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