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

Systemtic Name: 2-[4-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(1-oxopentylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(pentanoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-(valerylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O3/c1-3-5-11-28-32-26-18-17-23(31-29(34)12-6-4-2)19-27(26)33(28)20-21-13-15-22(16-14-21)24-9-7-8-10-25(24)30(35)36/h7-10,13-19H,3-6,11-12,20H2,1-2H3,(H,31,34)(H,35,36)