tert-butyl [2-[[2-butyl-6-[(phenylmethyl)carbamoylamino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-[(phenylmethyl)carbamoylamino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-(benzylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-(benzylcarbamoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-(benzylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C37H40N4O4 MolecularWeight: 604.7379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C37H40N4O4/c1-5-6-20-33-40-31-22-21-29(39-35(42)38-24-26-14-9-7-10-15-26)23-32(31)41(33)25-28-18-13-19-30(27-16-11-8-12-17-27)34(28)44-36(43)45-37(2,3)4/h7-19,21-23H,5-6,20,24-25H2,1-4H3,(H2,38,39,42)