[5-[[2-butyl-6-[[6-(methylamino)-6-oxidanylidene-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [5-[[2-butyl-6-[[6-(methylamino)-6-oxidanylidene-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [5-[[2-butyl-6-[[6-(methylamino)-6-oxo-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [5-[[2-butyl-6-[[6-(methylamino)-6-oxohexyl]amino]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-[[6-(methylamino)-6-oxohexyl]amino]benzimidazol-1-yl]methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [5-[[2-butyl-6-[[6-keto-6-(methylamino)hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C32H38N4O4 MolecularWeight: 542.66852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C=C(C=C2)NCCCCCC(=O)NC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C=C(C=C2)NCCCCCC(=O)NC

InChI

InChI=1S/C32H38N4O4/c1-3-4-13-30-35-27-18-16-25(34-19-10-6-9-14-31(37)33-2)21-28(27)36(30)22-23-15-17-26(24-11-7-5-8-12-24)29(20-23)40-32(38)39/h5,7-8,11-12,15-18,20-21,34H,3-4,6,9-10,13-14,19,22H2,1-2H3,(H,33,37)(H,38,39)