4-[(E)-2-(4-cyano-1-phenyl-pyrido[1,2-a]benzimidazol-3-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(4-cyano-1-phenyl-pyrido[1,2-a]benzimidazol-3-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(4-cyano-1-phenyl-pyrido[1,2-a]benzimidazol-3-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-cyano-1-phenyl-3-pyrido[1,2-a]benzimidazolyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-cyano-1-phenylpyrido[1,2-a]benzimidazol-3-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-cyano-1-phenyl-pyrido[1,2-a]benzimidazol-3-yl)vinyl]benzoic acid Formula: C27H17N3O2 MolecularWeight: 415.44278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C=CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)/C=C/C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H17N3O2/c28-17-22-21(15-12-18-10-13-20(14-11-18)27(31)32)16-25(19-6-2-1-3-7-19)30-24-9-5-4-8-23(24)29-26(22)30/h1-16H,(H,31,32)/b15-12+