[3-[4-chloranyl-6-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[4-chloranyl-6-(3-oxidanylidene-1H-isoindol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[4-chloro-6-(1-oxoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[4-chloro-6-(3-oxo-1H-isoindol-2-yl)-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[4-chloro-6-(3-oxo-1H-isoindol-2-yl)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[4-chloro-6-(1-ketoisoindolin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C32H26ClN3O4 MolecularWeight: 552.01954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N5CC6=CC=CC=C6C5=O)Cl

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N5CC6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C32H26ClN3O4/c1-3-9-28-34-29-25(33)16-22(35-18-21-12-7-8-13-24(21)31(35)37)17-27(29)36(28)26-15-14-23(20-10-5-4-6-11-20)30(19(26)2)40-32(38)39/h4-8,10-17H,3,9,18H2,1-2H3,(H,38,39)