methyl 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H19N3O3 MolecularWeight: 409.43666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H19N3O3/c1-30-25(29)18-12-10-17(11-13-18)16-31-23-9-5-2-6-19(23)14-20(15-26)24-27-21-7-3-4-8-22(21)28-24/h2-14H,16H2,1H3,(H,27,28)/b20-14+