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

Systemtic Name: 2-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid Openeye Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid CAS Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]phenoxy]hexanoic acid IUPAC Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid Traditional Name: 2-[4-[(2-butyl-5-chloro-4-methylol-imidazol-1-yl)methyl]phenoxy]hexanoic acid Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)OC(CCCC)C(=O)O)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)OC(CCCC)C(=O)O)Cl)CO

InChI

InChI=1S/C21H29ClN2O4/c1-3-5-7-18(21(26)27)28-16-11-9-15(10-12-16)13-24-19(8-6-4-2)23-17(14-25)20(24)22/h9-12,18,25H,3-8,13-14H2,1-2H3,(H,26,27)