tert-butyl [3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-methyl-3-[4-methyl-2-propyl-6-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-yl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-(1-heptan-4-yl-4-imidazolyl)-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-2-propyl-6-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C39H48N4O3 MolecularWeight: 620.82342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C5=CN(C=N5)C(CCC)CCC)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C5=CN(C=N5)C(CCC)CCC)C

InChI

InChI=1S/C39H48N4O3/c1-9-15-30(16-10-2)42-24-32(40-25-42)29-22-26(4)36-34(23-29)43(35(41-36)17-11-3)33-21-20-31(28-18-13-12-14-19-28)37(27(33)5)45-38(44)46-39(6,7)8/h12-14,18-25,30H,9-11,15-17H2,1-8H3