2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-7-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N4O3/c1-2-3-16-29-34-27-14-9-15-28(35-32(39)33-24-10-5-4-6-11-24)30(27)36(29)21-22-17-19-23(20-18-22)25-12-7-8-13-26(25)31(37)38/h7-9,12-15,17-20,24H,2-6,10-11,16,21H2,1H3,(H,37,38)(H2,33,35,39)