2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-6-(1-oxopropylamino)-1-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-6-propionamido-benzimidazol-1-yl)methyl]phenoxy]-2-phenyl-acetic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O4/c1-3-5-11-26-31-24-17-14-22(30-27(33)4-2)18-25(24)32(26)19-20-12-15-23(16-13-20)36-28(29(34)35)21-9-7-6-8-10-21/h6-10,12-18,28H,3-5,11,19H2,1-2H3,(H,30,33)(H,34,35)