tert-butyl [2-[[2-butyl-6-(6-methanoyl-3,4-dimethyl-cyclohex-3-en-1-yl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-(6-methanoyl-3,4-dimethyl-cyclohex-3-en-1-yl)carbonylimino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(6-formyl-3,4-dimethyl-cyclohex-3-ene-1-carbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[(6-formyl-3,4-dimethyl-1-cyclohex-3-enyl)-oxomethyl]imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(6-formyl-3,4-dimethylcyclohex-3-ene-1-carbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(6-formyl-3,4-dimethyl-cyclohex-3-ene-1-carbonyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C39H45N3O5 MolecularWeight: 635.7917

Click to see the large picture

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(=C(CC5C=O)C)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(=C(CC5C=O)C)C)C=C2

InChI

InChI=1S/C39H45N3O5/c1-7-8-17-35-41-33-19-18-30(40-37(44)32-21-26(3)25(2)20-29(32)24-43)22-34(33)42(35)23-28-15-12-16-31(27-13-10-9-11-14-27)36(28)46-38(45)47-39(4,5)6/h9-16,18-19,24,29,32H,7-8,17,20-23H2,1-6H3