3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-4-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-4-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-4-methyl-benzoic acid Formula: C22H15N3O3 MolecularWeight: 369.3728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H15N3O3/c1-13-6-7-14(22(26)27)11-17(13)20-9-8-16(28-20)10-15(12-23)21-24-18-4-2-3-5-19(18)25-21/h2-11H,1H3,(H,24,25)(H,26,27)/b15-10+