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

Systemtic Name: 4-[[4-[2-(3-bromophenyl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C24H18BrNO4 MolecularWeight: 464.30802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrNO4/c1-29-23-12-17(11-20(14-26)19-3-2-4-21(25)13-19)7-10-22(23)30-15-16-5-8-18(9-6-16)24(27)28/h2-13H,15H2,1H3,(H,27,28)