2-[4-carboxy-1-[(4-dodecylphenyl)methyl]benzimidazol-2-yl]-1-[(4-dodecylphenyl)methyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-[4-carboxy-1-[(4-dodecylphenyl)methyl]benzimidazol-2-yl]-1-[(4-dodecylphenyl)methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-[4-carboxy-1-[(4-dodecylphenyl)methyl]benzimidazol-2-yl]-1-[(4-dodecylphenyl)methyl]benzimidazole-4-carboxylic acid CAS Name: 2-[4-carboxy-1-[(4-dodecylphenyl)methyl]-2-benzimidazolyl]-1-[(4-dodecylphenyl)methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-[4-carboxy-1-[(4-dodecylphenyl)methyl]benzimidazol-2-yl]-1-[(4-dodecylphenyl)methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-[4-carboxy-1-(4-laurylbenzyl)benzimidazol-2-yl]-1-(4-laurylbenzyl)benzimidazole-4-carboxylic acid Formula: C54H70N4O4 MolecularWeight: 839.158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CN2C3=CC=CC(=C3N=C2C4=NC5=C(C=CC=C5N4CC6=CC=C(C=C6)CCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CN2C3=CC=CC(=C3N=C2C4=NC5=C(C=CC=C5N4CC6=CC=C(C=C6)CCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C54H70N4O4/c1-3-5-7-9-11-13-15-17-19-21-25-41-31-35-43(36-32-41)39-57-47-29-23-27-45(53(59)60)49(47)55-51(57)52-56-50-46(54(61)62)28-24-30-48(50)58(52)40-44-37-33-42(34-38-44)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-38H,3-22,25-26,39-40H2,1-2H3,(H,59,60)(H,61,62)