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

Systemtic Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO6/c1-2-32-24-14-18(13-22(15-27)19-8-10-21(11-9-19)26(30)31)5-12-23(24)33-16-17-3-6-20(7-4-17)25(28)29/h3-14H,2,16H2,1H3,(H,28,29)(H,30,31)