4-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyano-ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-allyl-4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-allyl-4-[2-(4-carboxyphenyl)-2-cyano-vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C29H25NO6 MolecularWeight: 483.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H25NO6/c1-3-5-24-14-20(15-25(17-30)21-10-12-23(13-11-21)29(33)34)16-26(35-4-2)27(24)36-18-19-6-8-22(9-7-19)28(31)32/h3,6-16H,1,4-5,18H2,2H3,(H,31,32)(H,33,34)