[2-[[2-butyl-6-(3-oxidanylidene-1H-isoindol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-(3-oxidanylidene-1H-isoindol-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(1-oxoisoindolin-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(3-oxo-1H-isoindol-2-yl)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(3-oxo-1H-isoindol-2-yl)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(1-ketoisoindolin-2-yl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C33H29N3O4 MolecularWeight: 531.60106

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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)N5CC6=CC=CC=C6C5=O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)N5CC6=CC=CC=C6C5=O

InChI

InChI=1S/C33H29N3O4/c1-2-3-16-30-34-28-18-17-25(35-20-23-12-7-8-14-27(23)32(35)37)19-29(28)36(30)21-24-13-9-15-26(31(24)40-33(38)39)22-10-5-4-6-11-22/h4-15,17-19H,2-3,16,20-21H2,1H3,(H,38,39)