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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(cyclohexylmethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(cyclohexylmethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[[(cyclohexylmethylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(cyclohexylmethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(cyclohexylmethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C37H46N4O3 MolecularWeight: 594.78614

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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)NCC5CCCCC5

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)NCC5CCCCC5

InChI

InChI=1S/C37H46N4O3/c1-5-6-16-34-40-32-22-21-29(39-36(43)38-24-26-12-8-7-9-13-26)23-33(32)41(34)25-27-17-19-28(20-18-27)30-14-10-11-15-31(30)35(42)44-37(2,3)4/h10-11,14-15,17-23,26H,5-9,12-13,16,24-25H2,1-4H3,(H2,38,39,43)