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

Systemtic Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO6/c1-31-23-13-16(11-21(14-26)18-6-8-19(9-7-18)24(27)28)5-10-22(23)32-15-17-3-2-4-20(12-17)25(29)30/h2-13H,15H2,1H3,(H,27,28)(H,29,30)