[2-[(2-butyl-4-methyl-7-oxidanyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate

Systemtic Name: [2-[(2-butyl-4-methyl-7-oxidanyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [2-[(2-butyl-7-hydroxy-4-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [2-[(2-butyl-7-hydroxy-4-methyl-1-benzimidazolyl)methyl]-6-phenylphenyl] ester hydrate IUPAC Name: [2-[(2-butyl-7-hydroxy-4-methylbenzimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [2-[(2-butyl-7-hydroxy-4-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester hydrate Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)O)C.O

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)O)C.O

InChI

InChI=1S/C26H26N2O4.H2O/c1-3-4-13-22-27-23-17(2)14-15-21(29)24(23)28(22)16-19-11-8-12-20(25(19)32-26(30)31)18-9-6-5-7-10-18;/h5-12,14-15,29H,3-4,13,16H2,1-2H3,(H,30,31);1H2