tridecyl 2-(1-tridecoxycarbonylbenzimidazol-2-yl)benzimidazole-1-carboxylate

Systemtic Name: tridecyl 2-(1-tridecoxycarbonylbenzimidazol-2-yl)benzimidazole-1-carboxylate Openeye Name: tridecyl 2-(1-tridecoxycarbonylbenzimidazol-2-yl)benzimidazole-1-carboxylate CAS Name: 2-[1-[oxo(tridecoxy)methyl]-2-benzimidazolyl]-1-benzimidazolecarboxylic acid tridecyl ester IUPAC Name: tridecyl 2-(1-tridecoxycarbonylbenzimidazol-2-yl)benzimidazole-1-carboxylate Traditional Name: 2-(1-tridecoxycarbonylbenzimidazol-2-yl)benzimidazole-1-carboxylic acid tridecyl ester Formula: C42H62N4O4 MolecularWeight: 686.96608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)N1C2=CC=CC=C2N=C1C3=NC4=CC=CC=C4N3C(=O)OCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)N1C2=CC=CC=C2N=C1C3=NC4=CC=CC=C4N3C(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C42H62N4O4/c1-3-5-7-9-11-13-15-17-19-21-27-33-49-41(47)45-37-31-25-23-29-35(37)43-39(45)40-44-36-30-24-26-32-38(36)46(40)42(48)50-34-28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3