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

Systemtic Name: [2-[[2-butyl-6-(5-oxidanylpentylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [2-[[2-butyl-6-(5-hydroxypentylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [2-[[2-butyl-6-[[(5-hydroxypentylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester hydrate IUPAC Name: [2-[[2-butyl-6-(5-hydroxypentylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [2-[[2-butyl-6-(5-hydroxypentylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester hydrate Formula: C31H38N4O6 MolecularWeight: 562.65662

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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)NCCCCCO.O

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O5.H2O/c1-2-3-15-28-34-26-17-16-24(33-30(37)32-18-8-5-9-19-36)20-27(26)35(28)21-23-13-10-14-25(29(23)40-31(38)39)22-11-6-4-7-12-22;/h4,6-7,10-14,16-17,20,36H,2-3,5,8-9,15,18-19,21H2,1H3,(H,38,39)(H2,32,33,37);1H2