2-[4-[[2-butyl-6-(dimethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(dimethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(dimethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-[[dimethylamino(oxo)methyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(dimethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-(dimethylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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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=C(C=C2)NC(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3/c1-4-5-10-26-30-24-16-15-21(29-28(35)31(2)3)17-25(24)32(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27(33)34/h6-9,11-17H,4-5,10,18H2,1-3H3,(H,29,35)(H,33,34)