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

Systemtic Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[(3-cyclohexyl-1-oxopropyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(3-cyclohexylpropanoylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C38H47N3O4 MolecularWeight: 609.79748

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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)OC(C)(C)C)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)OC(C)(C)C)C)C=C(C=C2)NC(=O)CCC5CCCCC5

InChI

InChI=1S/C38H47N3O4/c1-6-7-18-34-40-31-22-20-29(39-35(42)24-19-27-14-10-8-11-15-27)25-33(31)41(34)32-23-21-30(28-16-12-9-13-17-28)36(26(32)2)44-37(43)45-38(3,4)5/h9,12-13,16-17,20-23,25,27H,6-8,10-11,14-15,18-19,24H2,1-5H3,(H,39,42)