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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(3-methyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(3-methyl-5-oxo-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(3-methyl-1,5-dioxopentyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(3-methyl-5-oxopentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(5-keto-3-methyl-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C35H41N3O5 MolecularWeight: 583.71714

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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)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)CC=O)C=C2

InChI

InChI=1S/C35H41N3O5/c1-6-7-16-31-37-29-18-17-27(36-32(40)21-24(2)19-20-39)22-30(29)38(31)23-26-14-11-15-28(25-12-9-8-10-13-25)33(26)42-34(41)43-35(3,4)5/h8-15,17-18,20,24H,6-7,16,19,21-23H2,1-5H3