[2-[[2-butyl-6-[butylcarbamoyl(cyclohexyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-[butylcarbamoyl(cyclohexyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-[butylcarbamoyl(cyclohexyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[[butylamino(oxo)methyl]-cyclohexylamino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-[butylcarbamoyl(cyclohexyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-[butylcarbamoyl(cyclohexyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C36H44N4O4 MolecularWeight: 596.75896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)N(C5CCCCC5)C(=O)NCCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)N(C5CCCCC5)C(=O)NCCCC

InChI

InChI=1S/C36H44N4O4/c1-3-5-20-33-38-31-22-21-29(40(28-17-11-8-12-18-28)35(41)37-23-6-4-2)24-32(31)39(33)25-27-16-13-19-30(34(27)44-36(42)43)26-14-9-7-10-15-26/h7,9-10,13-16,19,21-22,24,28H,3-6,8,11-12,17-18,20,23,25H2,1-2H3,(H,37,41)(H,42,43)