8-methylnonyl 4,5-dimethyl-2-[1-(8-methylnonoxycarbonyl)benzimidazol-2-yl]benzimidazole-1-carboxylate

Systemtic Name: 8-methylnonyl 4,5-dimethyl-2-[1-(8-methylnonoxycarbonyl)benzimidazol-2-yl]benzimidazole-1-carboxylate Openeye Name: 8-methylnonyl 4,5-dimethyl-2-[1-(8-methylnonoxycarbonyl)benzimidazol-2-yl]benzimidazole-1-carboxylate CAS Name: 4,5-dimethyl-2-[1-[8-methylnonoxy(oxo)methyl]-2-benzimidazolyl]-1-benzimidazolecarboxylic acid 8-methylnonyl ester IUPAC Name: 8-methylnonyl 4,5-dimethyl-2-[1-(8-methylnonoxycarbonyl)benzimidazol-2-yl]benzimidazole-1-carboxylate Traditional Name: 4,5-dimethyl-2-[1-(8-methylnonoxycarbonyl)benzimidazol-2-yl]benzimidazole-1-carboxylic acid 8-methylnonyl ester Formula: C38H54N4O4 MolecularWeight: 630.85976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=N2)C3=NC4=CC=CC=C4N3C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=N2)C3=NC4=CC=CC=C4N3C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)C

InChI

InChI=1S/C38H54N4O4/c1-27(2)19-13-9-7-11-17-25-45-37(43)41-32-22-16-15-21-31(32)39-35(41)36-40-34-30(6)29(5)23-24-33(34)42(36)38(44)46-26-18-12-8-10-14-20-28(3)4/h15-16,21-24,27-28H,7-14,17-20,25-26H2,1-6H3