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

Systemtic Name: 5-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]indol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]indol-1-yl]methyl]-2-furoic acid Formula: C24H16N4O3 MolecularWeight: 408.40884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)/C=C(\C#N)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H16N4O3/c25-12-15(23-26-19-6-2-3-7-20(19)27-23)11-16-13-28(21-8-4-1-5-18(16)21)14-17-9-10-22(31-17)24(29)30/h1-11,13H,14H2,(H,26,27)(H,29,30)/b15-11+