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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(2-cyclohexylethylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C37H47N3O3 MolecularWeight: 581.78738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NCCC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NCCC5CCCCC5

InChI

InChI=1S/C37H47N3O3/c1-5-6-20-34-39-32-22-21-30(38-24-23-27-14-9-7-10-15-27)25-33(32)40(34)26-29-18-13-19-31(28-16-11-8-12-17-28)35(29)42-36(41)43-37(2,3)4/h8,11-13,16-19,21-22,25,27,38H,5-7,9-10,14-15,20,23-24,26H2,1-4H3