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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)OCC3=CC=CC(=C3)C(=O)O

InChI

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