3-[[4-[2-(3-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[2-(3-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(3-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(3-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(3-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(3-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C24H18ClNO4 MolecularWeight: 419.85702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Cl)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Cl)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H18ClNO4/c1-29-23-12-16(10-20(14-26)18-5-3-7-21(25)13-18)8-9-22(23)30-15-17-4-2-6-19(11-17)24(27)28/h2-13H,15H2,1H3,(H,27,28)