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

Systemtic Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-(3-cyclohexylpropylamino)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(3-cyclohexylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C38H49N3O3 MolecularWeight: 595.81396

Click to see the large picture

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)NCCCC5CCCCC5

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)NCCCC5CCCCC5

InChI

InChI=1S/C38H49N3O3/c1-6-7-20-35-40-32-23-21-30(39-25-14-17-28-15-10-8-11-16-28)26-34(32)41(35)33-24-22-31(29-18-12-9-13-19-29)36(27(33)2)43-37(42)44-38(3,4)5/h9,12-13,18-19,21-24,26,28,39H,6-8,10-11,14-17,20,25H2,1-5H3