4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-iodo-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-iodophenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-iodophenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-iodo-phenoxy]methyl]benzoic acid Formula: C24H16IN3O3 MolecularWeight: 521.30661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)I)/C#N

InChI

InChI=1S/C24H16IN3O3/c25-19-12-16(11-18(13-26)23-27-20-3-1-2-4-21(20)28-23)7-10-22(19)31-14-15-5-8-17(9-6-15)24(29)30/h1-12H,14H2,(H,27,28)(H,29,30)/b18-11-