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

Systemtic Name: [3-bromanyl-2-[[2-butyl-6-(2-methanoylcyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-bromo-2-[[2-butyl-6-[(2-formylcyclohexyl)-oxomethyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-bromo-2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C33H34BrN3O5 MolecularWeight: 632.54416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H34BrN3O5/c1-2-3-13-30-36-28-17-14-23(35-32(39)25-12-8-7-11-22(25)20-38)18-29(28)37(30)19-26-27(34)16-15-24(31(26)42-33(40)41)21-9-5-4-6-10-21/h4-6,9-10,14-17,20,22,25H,2-3,7-8,11-13,18-19H2,1H3,(H,40,41)