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

Systemtic Name: 3-[[4-[2-(4-chlorophenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(4-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(4-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C23H16ClNO3 MolecularWeight: 389.83104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H16ClNO3/c24-21-8-6-18(7-9-21)20(14-25)12-16-4-10-22(11-5-16)28-15-17-2-1-3-19(13-17)23(26)27/h1-13H,15H2,(H,26,27)