3-[[2-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-[2-(4-carboxyphenyl)-2-cyano-vinyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-[2-(4-carboxyphenyl)-2-cyanoethenyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-[2-(4-carboxyphenyl)-2-cyanoethenyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-[2-(4-carboxyphenyl)-2-cyano-vinyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

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