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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[[[(4-cyclohexylcyclohexyl)amino]-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-[(4-cyclohexylcyclohexyl)carbamoylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C42H54N4O3 MolecularWeight: 662.90316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)NC5CCC(CC5)C6CCCCC6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)NC5CCC(CC5)C6CCCCC6

InChI

InChI=1S/C42H54N4O3/c1-5-6-16-39-45-37-26-25-34(44-41(48)43-33-23-21-31(22-24-33)30-12-8-7-9-13-30)27-38(37)46(39)28-29-17-19-32(20-18-29)35-14-10-11-15-36(35)40(47)49-42(2,3)4/h10-11,14-15,17-20,25-27,30-31,33H,5-9,12-13,16,21-24,28H2,1-4H3,(H2,43,44,48)