[3-[2-butyl-6-(3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-(3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(3-keto-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C33H35N3O4 MolecularWeight: 537.6487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CC6CCCCC6C5=O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CC6CCCCC6C5=O

InChI

InChI=1S/C33H35N3O4/c1-3-4-14-30-34-27-17-15-24(35-20-23-12-8-9-13-26(23)32(35)37)19-29(27)36(30)28-18-16-25(22-10-6-5-7-11-22)31(21(28)2)40-33(38)39/h5-7,10-11,15-19,23,26H,3-4,8-9,12-14,20H2,1-2H3,(H,38,39)