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

Systemtic Name: [2-[[2-butyl-6-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[(cyclohexylmethylamino)-oxomethyl]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(cyclohexylmethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C33H37N3O4 MolecularWeight: 539.66458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)C(=O)NCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)C(=O)NCC5CCCCC5

InChI

InChI=1S/C33H37N3O4/c1-2-3-17-30-35-28-19-18-25(32(37)34-21-23-11-6-4-7-12-23)20-29(28)36(30)22-26-15-10-16-27(31(26)40-33(38)39)24-13-8-5-9-14-24/h5,8-10,13-16,18-20,23H,2-4,6-7,11-12,17,21-22H2,1H3,(H,34,37)(H,38,39)