tert-butyl [2-[[2-butyl-6-(2-methanoyl-5-methyl-cyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-(2-methanoyl-5-methyl-cyclohexyl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(2-formyl-5-methyl-cyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[(2-formyl-5-methylcyclohexyl)-oxomethyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(2-formyl-5-methylcyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(2-formyl-5-methyl-cyclohexanecarbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C38H45N3O5 MolecularWeight: 623.781

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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)C5CC(CCC5C=O)C)C=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)CC(=NC(=O)C5CC(CCC5C=O)C)C=C2

InChI

InChI=1S/C38H45N3O5/c1-6-7-16-34-40-32-20-19-29(39-36(43)31-21-25(2)17-18-28(31)24-42)22-33(32)41(34)23-27-14-11-15-30(26-12-9-8-10-13-26)35(27)45-37(44)46-38(3,4)5/h8-15,19-20,24-25,28,31H,6-7,16-18,21-23H2,1-5H3