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

Systemtic Name: tert-butyl [2-methyl-3-[4-methyl-6-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate Openeye Name: [3-[6-(1-benzylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-[1-(phenylmethyl)-4-imidazolyl]-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: [3-[6-(1-benzylimidazol-4-yl)-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(1-benzylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C39H40N4O3 MolecularWeight: 612.7599

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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)CC6=CC=CC=C6)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)CC6=CC=CC=C6)C

InChI

InChI=1S/C39H40N4O3/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/h8-13,15-22,24-25H,7,14,23H2,1-6H3