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

Systemtic Name: [2-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[6-[[anilino(oxo)methyl]amino]-2-butyl-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C32H30N4O4 MolecularWeight: 534.605

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)NC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C32H30N4O4/c1-2-3-17-29-35-27-19-18-25(34-31(37)33-24-14-8-5-9-15-24)20-28(27)36(29)21-23-13-10-16-26(30(23)40-32(38)39)22-11-6-4-7-12-22/h4-16,18-20H,2-3,17,21H2,1H3,(H,38,39)(H2,33,34,37)