tert-butyl [3-[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[[[(4-cyclohexylcyclohexyl)amino]-oxomethyl]amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C42H54N4O4 MolecularWeight: 678.90256

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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)NC5CCC(CC5)C6CCCCC6

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)NC5CCC(CC5)C6CCCCC6

InChI

InChI=1S/C42H54N4O4/c1-6-7-18-38-45-35-25-23-33(44-40(47)43-32-21-19-30(20-22-32)29-14-10-8-11-15-29)27-37(35)46(38)36-26-24-34(31-16-12-9-13-17-31)39(28(36)2)49-41(48)50-42(3,4)5/h9,12-13,16-17,23-27,29-30,32H,6-8,10-11,14-15,18-22H2,1-5H3,(H2,43,44,47)