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

Systemtic Name: tert-butyl [3-[6-[1-(cyclohexylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-[1-(cyclohexylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-[1-(cyclohexylmethyl)-4-imidazolyl]-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-[1-(cyclohexylmethyl)imidazol-4-yl]-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-[1-(cyclohexylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C39H46N4O3 MolecularWeight: 618.80754

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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)CC6CCCCC6)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)CC6CCCCC6)C

InChI

InChI=1S/C39H46N4O3/c1-7-14-35-41-36-26(2)21-30(32-24-42(25-40-32)23-28-15-10-8-11-16-28)22-34(36)43(35)33-20-19-31(29-17-12-9-13-18-29)37(27(33)3)45-38(44)46-39(4,5)6/h9,12-13,17-22,24-25,28H,7-8,10-11,14-16,23H2,1-6H3