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

Systemtic Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(2-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=C(C(=C1)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N)Cl

InChI

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