3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoic acid Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

InChI

InChI=1S/C23H17N3O3/c1-13-8-19-20(9-14(13)2)26-22(25-19)17(12-24)11-18-6-7-21(29-18)15-4-3-5-16(10-15)23(27)28/h3-11H,1-2H3,(H,25,26)(H,27,28)