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

Systemtic Name: [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[(3-cyclohexyl-1-oxopropyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C34H39N3O4 MolecularWeight: 553.69116

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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)NC(=O)CCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NC(=O)CCC5CCCCC5

InChI

InChI=1S/C34H39N3O4/c1-3-4-15-31-36-28-19-17-26(35-32(38)21-16-24-11-7-5-8-12-24)22-30(28)37(31)29-20-18-27(25-13-9-6-10-14-25)33(23(29)2)41-34(39)40/h6,9-10,13-14,17-20,22,24H,3-5,7-8,11-12,15-16,21H2,1-2H3,(H,35,38)(H,39,40)