[5-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [5-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [5-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [5-[[2-butyl-6-(1-oxopentylamino)-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [5-[[2-butyl-6-(valerylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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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)NC(=O)CCCC

Isomeric SMILES

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

InChI

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