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

Systemtic Name: [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[[(cyclohexylamino)-oxomethyl]-phenethylamino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C40H44N4O4 MolecularWeight: 644.80176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)N(CCC5=CC=CC=C5)C(=O)NC6CCCCC6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)N(CCC5=CC=CC=C5)C(=O)NC6CCCCC6

InChI

InChI=1S/C40H44N4O4/c1-2-3-22-37-42-35-24-23-33(43(26-25-29-14-7-4-8-15-29)39(45)41-32-19-11-6-12-20-32)27-36(35)44(37)28-31-18-13-21-34(38(31)48-40(46)47)30-16-9-5-10-17-30/h4-5,7-10,13-18,21,23-24,27,32H,2-3,6,11-12,19-20,22,25-26,28H2,1H3,(H,41,45)(H,46,47)