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

Systemtic Name: 4-[[4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C25H20ClNO4 MolecularWeight: 433.8836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClNO4/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)