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

Systemtic Name: tert-butyl [3-[6-[1-(cyclobutylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-[1-(cyclobutylmethyl)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-(cyclobutylmethyl)-4-imidazolyl]-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-[1-(cyclobutylmethyl)imidazol-4-yl]-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-[1-(cyclobutylmethyl)imidazol-4-yl]-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H42N4O3 MolecularWeight: 590.75438

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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)CC6CCC6)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)CC6CCC6)C

InChI

InChI=1S/C37H42N4O3/c1-7-12-33-39-34-24(2)19-28(30-22-40(23-38-30)21-26-13-11-14-26)20-32(34)41(33)31-18-17-29(27-15-9-8-10-16-27)35(25(31)3)43-36(42)44-37(4,5)6/h8-10,15-20,22-23,26H,7,11-14,21H2,1-6H3