3-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl]amino]benzoic acid

Systemtic Name: 3-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenyl]amino]benzoic acid Openeye Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-anilino]benzoic acid CAS Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyanilino]benzoic acid IUPAC Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyanilino]benzoic acid Traditional Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-anilino]benzoic acid Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H20N4O3/c1-2-32-23-13-16(10-11-22(23)27-19-7-5-6-17(14-19)25(30)31)12-18(15-26)24-28-20-8-3-4-9-21(20)29-24/h3-14,27H,2H2,1H3,(H,28,29)(H,30,31)/b18-12+