[2-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-7-(propylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-7-(propylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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(=CC=C2)NCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-3-5-17-25-30-24-16-10-15-23(29-18-4-2)26(24)31(25)19-21-13-9-14-22(27(21)34-28(32)33)20-11-7-6-8-12-20/h6-16,29H,3-5,17-19H2,1-2H3,(H,32,33)