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

Systemtic Name: [2-[(2-butyl-7-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [2-[(2-butyl-7-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [2-[(2-butyl-7-methyl-1-benzimidazolyl)methyl]-6-phenylphenyl] ester hydrate IUPAC Name: [2-[(2-butyl-7-methylbenzimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [2-[(2-butyl-7-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester hydrate Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3.H2O/c1-3-4-16-23-27-22-15-8-10-18(2)24(22)28(23)17-20-13-9-14-21(25(20)31-26(29)30)19-11-6-5-7-12-19;/h5-15H,3-4,16-17H2,1-2H3,(H,29,30);1H2