2-[[2-butyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-benzoate

Systemtic Name: 2-[[2-butyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-benzoate Openeye Name: 2-[[2-butyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-benzoate CAS Name: 2-[[2-butyl-6-(1-methyl-2-benzimidazolyl)-1-benzimidazolyl]methyl]-6-phenylbenzoate IUPAC Name: 2-[[2-butyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]-6-phenylbenzoate Traditional Name: 2-[[2-butyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-benzoate Formula: C33H29N4O2- MolecularWeight: 513.60896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3C(=O)[O-])C4=CC=CC=C4)C=C(C=C2)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C33H30N4O2/c1-3-4-17-30-34-27-19-18-23(32-35-26-15-8-9-16-28(26)36(32)2)20-29(27)37(30)21-24-13-10-14-25(31(24)33(38)39)22-11-6-5-7-12-22/h5-16,18-20H,3-4,17,21H2,1-2H3,(H,38,39)/p-1