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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(3-ethyl-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-ethyl-3-methyl-1,5-dioxopentyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxopentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(3-ethyl-5-keto-3-methyl-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C37H45N3O5 MolecularWeight: 611.7703

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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)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)CC=O)C=C2

InChI

InChI=1S/C37H45N3O5/c1-7-9-18-32-39-30-20-19-28(38-33(42)24-37(6,8-2)21-22-41)23-31(30)40(32)25-27-16-13-17-29(26-14-11-10-12-15-26)34(27)44-35(43)45-36(3,4)5/h10-17,19-20,22H,7-9,18,21,23-25H2,1-6H3