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

Systemtic Name: [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-(3-cyclohexylpropylamino)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C34H41N3O3 MolecularWeight: 539.70764

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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)NCCCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NCCCC5CCCCC5

InChI

InChI=1S/C34H41N3O3/c1-3-4-17-32-36-29-20-18-27(35-22-11-14-25-12-7-5-8-13-25)23-31(29)37(32)30-21-19-28(26-15-9-6-10-16-26)33(24(30)2)40-34(38)39/h6,9-10,15-16,18-21,23,25,35H,3-5,7-8,11-14,17,22H2,1-2H3,(H,38,39)