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

Systemtic Name: [2-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(1-oxopentylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(valerylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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)NC(=O)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4/c1-3-5-15-27-32-25-18-17-23(31-28(34)16-6-4-2)19-26(25)33(27)20-22-13-10-14-24(29(22)37-30(35)36)21-11-8-7-9-12-21/h7-14,17-19H,3-6,15-16,20H2,1-2H3,(H,31,34)(H,35,36)