tert-butyl [3-[2-butyl-6-(2-methanoylcyclohexen-1-yl)carbonylimino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-(2-methanoylcyclohexen-1-yl)carbonylimino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[(2-formyl-1-cyclohexenyl)-oxomethyl]imino-7H-benzimidazol-1-yl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H41N3O5 MolecularWeight: 607.73854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)CC(=NC(=O)C5=C(CCCC5)C=O)C=C2

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)CC(=NC(=O)C5=C(CCCC5)C=O)C=C2

InChI

InChI=1S/C37H41N3O5/c1-6-7-17-33-39-30-20-18-27(38-35(42)29-16-12-11-15-26(29)23-41)22-32(30)40(33)31-21-19-28(25-13-9-8-10-14-25)34(24(31)2)44-36(43)45-37(3,4)5/h8-10,13-14,18-21,23H,6-7,11-12,15-17,22H2,1-5H3