tert-butyl 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-7-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H44N4O3 MolecularWeight: 580.75956

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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(=CC=C2)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C(=CC=C2)NC(=O)NC5CCCCC5

InChI

InChI=1S/C36H44N4O3/c1-5-6-19-32-38-30-17-12-18-31(39-35(42)37-27-13-8-7-9-14-27)33(30)40(32)24-25-20-22-26(23-21-25)28-15-10-11-16-29(28)34(41)43-36(2,3)4/h10-12,15-18,20-23,27H,5-9,13-14,19,24H2,1-4H3,(H2,37,39,42)