[3-bromanyl-2-[[2-butyl-6-(2-methanoylcyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [3-bromanyl-2-[[2-butyl-6-(2-methanoylcyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-bromo-2-[[2-butyl-6-[(2-formylcyclohexyl)-oxomethyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C37H42BrN3O5 MolecularWeight: 688.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=C(C=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)Br)CC(=NC(=O)C5CCCCC5C=O)C=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=C(C=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)Br)CC(=NC(=O)C5CCCCC5C=O)C=C2

InChI

InChI=1S/C37H42BrN3O5/c1-5-6-16-33-40-31-20-17-26(39-35(43)28-15-11-10-14-25(28)23-42)21-32(31)41(33)22-29-30(38)19-18-27(24-12-8-7-9-13-24)34(29)45-36(44)46-37(2,3)4/h7-9,12-13,17-20,23,25,28H,5-6,10-11,14-16,21-22H2,1-4H3