4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)C(=O)O)/C#N

InChI

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