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

Systemtic Name: 4-[[4-[2-(2-chlorophenyl)-2-cyano-ethenyl]-2-ethoxy-6-prop-2-enyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-allyl-4-[2-(2-chlorophenyl)-2-cyano-vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-ethoxy-6-prop-2-enylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-allyl-4-[2-(2-chlorophenyl)-2-cyano-vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C28H24ClNO4 MolecularWeight: 473.94746

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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=CC=C3Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C(C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C28H24ClNO4/c1-3-7-22-14-20(15-23(17-30)24-8-5-6-9-25(24)29)16-26(33-4-2)27(22)34-18-19-10-12-21(13-11-19)28(31)32/h3,5-6,8-16H,1,4,7,18H2,2H3,(H,31,32)