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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[methylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-[benzyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[methylcarbamoyl-(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-[benzyl(methylcarbamoyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-[benzyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C38H42N4O4 MolecularWeight: 618.76448

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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)N(CC5=CC=CC=C5)C(=O)NC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)N(CC5=CC=CC=C5)C(=O)NC

InChI

InChI=1S/C38H42N4O4/c1-6-7-21-34-40-32-23-22-30(41(36(43)39-5)25-27-15-10-8-11-16-27)24-33(32)42(34)26-29-19-14-20-31(28-17-12-9-13-18-28)35(29)45-37(44)46-38(2,3)4/h8-20,22-24H,6-7,21,25-26H2,1-5H3,(H,39,43)