[3-[6-[2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate

Systemtic Name: [3-[6-[2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [3-[6-(3-benzyl-2,5-dioxo-imidazolidin-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(3-benzyl-2,5-diketo-imidazolidin-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C39H40N4O5 MolecularWeight: 644.7587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5C(=O)CN(C5=O)CC6=CC=CC=C6

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5C(=O)CN(C5=O)CC6=CC=CC=C6

InChI

InChI=1S/C39H40N4O5/c1-6-7-18-34-40-31-21-19-29(42-35(44)25-41(37(42)45)24-27-14-10-8-11-15-27)23-33(31)43(34)32-22-20-30(28-16-12-9-13-17-28)36(26(32)2)47-38(46)48-39(3,4)5/h8-17,19-23H,6-7,18,24-25H2,1-5H3