tert-butyl [2-[[2-butyl-6-(3,3-dimethyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-(3,3-dimethyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(3,3-dimethyl-5-oxo-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(3,3-dimethyl-1,5-dioxopentyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(3,3-dimethyl-5-oxopentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(5-keto-3,3-dimethyl-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C36H43N3O5 MolecularWeight: 597.74372

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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)CC(C)(C)CC=O)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C36H43N3O5/c1-7-8-17-31-38-29-19-18-27(37-32(41)23-36(5,6)20-21-40)22-30(29)39(31)24-26-15-12-16-28(25-13-10-9-11-14-25)33(26)43-34(42)44-35(2,3)4/h9-16,18-19,21H,7-8,17,20,22-24H2,1-6H3