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

Systemtic Name: 3-[[3-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]indol-1-yl]methyl]benzoic acid Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C(=O)O)/C#N

InChI

InChI=1S/C27H20N4O2/c1-17-9-10-23-24(11-17)30-26(29-23)20(14-28)13-21-16-31(25-8-3-2-7-22(21)25)15-18-5-4-6-19(12-18)27(32)33/h2-13,16H,15H2,1H3,(H,29,30)(H,32,33)/b20-13+