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

Systemtic Name: 3-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-furyl]benzoic acid Formula: C22H15N3O3 MolecularWeight: 369.3728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C#N

InChI

InChI=1S/C22H15N3O3/c1-13-5-7-18-19(9-13)25-21(24-18)16(12-23)11-17-6-8-20(28-17)14-3-2-4-15(10-14)22(26)27/h2-11H,1H3,(H,24,25)(H,26,27)/b16-11+