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

Systemtic Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-2-ethoxy-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-2-ethoxy-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-[1-(cyclopropylmethyl)-4-imidazolyl]-2-ethoxy-4-methyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-2-ethoxy-4-methylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-[1-(cyclopropylmethyl)imidazol-4-yl]-2-ethoxy-4-methyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C35H38N4O4 MolecularWeight: 578.70062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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)CC6CC6)C

Isomeric SMILES

CCOC1=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)CC6CC6)C

InChI

InChI=1S/C35H38N4O4/c1-7-41-33-37-31-22(2)17-26(28-20-38(21-36-28)19-24-13-14-24)18-30(31)39(33)29-16-15-27(25-11-9-8-10-12-25)32(23(29)3)42-34(40)43-35(4,5)6/h8-12,15-18,20-21,24H,7,13-14,19H2,1-6H3