[2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(2-cyclohexylethylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C33H39N3O3 MolecularWeight: 525.68106

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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)NCCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NCCC5CCCCC5

InChI

InChI=1S/C33H39N3O3/c1-2-3-17-31-35-29-19-18-27(34-21-20-24-11-6-4-7-12-24)22-30(29)36(31)23-26-15-10-16-28(32(26)39-33(37)38)25-13-8-5-9-14-25/h5,8-10,13-16,18-19,22,24,34H,2-4,6-7,11-12,17,20-21,23H2,1H3,(H,37,38)