2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-6-(1-methyl-2-benzimidazolyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C31H26N4O2 MolecularWeight: 486.56374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C31H26N4O2/c1-3-29-32-26-17-16-22(30-33-25-10-6-7-11-27(25)34(30)2)18-28(26)35(29)19-20-12-14-21(15-13-20)23-8-4-5-9-24(23)31(36)37/h4-18H,3,19H2,1-2H3,(H,36,37)