tert-butyl 2-[4-[[2-butyl-5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-5-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-5-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-5-(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/c1-5-6-16-33-39-31-23-28(38-35(42)37-27-12-8-7-9-13-27)21-22-32(31)40(33)24-25-17-19-26(20-18-25)29-14-10-11-15-30(29)34(41)43-36(2,3)4/h10-11,14-15,17-23,27H,5-9,12-13,16,24H2,1-4H3,(H2,37,38,42)