tert-butyl [3-[2-butyl-6-[[cyclohexyl(methyl)carbamoyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[[cyclohexyl(methyl)carbamoyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[[cyclohexyl(methyl)carbamoyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[[[cyclohexyl(methyl)amino]-oxomethyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[[cyclohexyl(methyl)carbamoyl]amino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[[cyclohexyl(methyl)carbamoyl]amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H46N4O4 MolecularWeight: 610.78554

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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)C=C(C=C2)NC(=O)N(C)C5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)NC(=O)N(C)C5CCCCC5

InChI

InChI=1S/C37H46N4O4/c1-7-8-19-33-39-30-22-20-27(38-35(42)40(6)28-17-13-10-14-18-28)24-32(30)41(33)31-23-21-29(26-15-11-9-12-16-26)34(25(31)2)44-36(43)45-37(3,4)5/h9,11-12,15-16,20-24,28H,7-8,10,13-14,17-19H2,1-6H3,(H,38,42)