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

Systemtic Name: tert-butyl [3-[6-(1-hexylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-(1-hexylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-(1-hexyl-4-imidazolyl)-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-(1-hexylimidazol-4-yl)-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-(1-hexylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C38H46N4O3 MolecularWeight: 606.79684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(N=C1)C2=CC(=C3C(=C2)N(C(=N3)CCC)C4=C(C(=C(C=C4)C5=CC=CC=C5)OC(=O)OC(C)(C)C)C)C

Isomeric SMILES

CCCCCCN1C=C(N=C1)C2=CC(=C3C(=C2)N(C(=N3)CCC)C4=C(C(=C(C=C4)C5=CC=CC=C5)OC(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C38H46N4O3/c1-8-10-11-15-21-41-24-31(39-25-41)29-22-26(3)35-33(23-29)42(34(40-35)16-9-2)32-20-19-30(28-17-13-12-14-18-28)36(27(32)4)44-37(43)45-38(5,6)7/h12-14,17-20,22-25H,8-11,15-16,21H2,1-7H3