2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[4-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[4-[(2-butyl-5-methylol-imidazol-1-yl)methyl]phenoxy]methyl]benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)OCC3=CC=CC=C3C(=O)O)CO

InChI

InChI=1S/C23H26N2O4/c1-2-3-8-22-24-13-19(15-26)25(22)14-17-9-11-20(12-10-17)29-16-18-6-4-5-7-21(18)23(27)28/h4-7,9-13,26H,2-3,8,14-16H2,1H3,(H,27,28)