tert-butyl [2-[[2-butyl-6-[2-(2-oxidanylideneethyl)phenyl]carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-[2-(2-oxidanylideneethyl)phenyl]carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-[2-(2-oxoethyl)benzoyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[oxo-[2-(2-oxoethyl)phenyl]methyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-[2-(2-oxoethyl)benzoyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-[2-(2-ketoethyl)benzoyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C38H39N3O5 MolecularWeight: 617.73336

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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)CC(=NC(=O)C5=CC=CC=C5CC=O)C=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)CC(=NC(=O)C5=CC=CC=C5CC=O)C=C2

InChI

InChI=1S/C38H39N3O5/c1-5-6-19-34-40-32-21-20-29(39-36(43)31-17-11-10-15-27(31)22-23-42)24-33(32)41(34)25-28-16-12-18-30(26-13-8-7-9-14-26)35(28)45-37(44)46-38(2,3)4/h7-18,20-21,23H,5-6,19,22,24-25H2,1-4H3