3-[[2-chloranyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]methyl]benzoic acid Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Cl)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)Cl)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C27H22ClN3O4/c1-3-34-24-13-18(11-20(14-29)26-30-22-8-7-16(2)9-23(22)31-26)12-21(28)25(24)35-15-17-5-4-6-19(10-17)27(32)33/h4-13H,3,15H2,1-2H3,(H,30,31)(H,32,33)