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

Systemtic Name: [2-[[2-butyl-6-(2-methanoylcyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate dihydrate Openeye Name: [2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate dihydrate CAS Name: carbonic acid [2-[[2-butyl-6-[(2-formylcyclohexyl)-oxomethyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester dihydrate IUPAC Name: [2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate dihydrate Traditional Name: carbonic acid [2-[[2-butyl-6-(2-formylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester dihydrate Formula: C33H39N3O7 MolecularWeight: 589.67866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H35N3O5.2H2O/c1-2-3-16-30-35-28-18-17-25(34-32(38)27-14-8-7-12-24(27)21-37)19-29(28)36(30)20-23-13-9-15-26(31(23)41-33(39)40)22-10-5-4-6-11-22;;/h4-6,9-11,13,15,17-18,21,24,27H,2-3,7-8,12,14,16,19-20H2,1H3,(H,39,40);2*1H2