3-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoic acid

Systemtic Name: 3-[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoic acid Openeye Name: 3-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoic acid CAS Name: 3-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenoxy]hexanoic acid IUPAC Name: 3-[4-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenoxy]hexanoic acid Traditional Name: 3-[4-[(2-butyl-1-chloro-5-methylol-imidazol-4-yl)methyl]phenoxy]hexanoic acid Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(CCC)CC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(CCC)CC(=O)O

InChI

InChI=1S/C21H29ClN2O4/c1-3-5-7-20-23-18(19(14-25)24(20)22)12-15-8-10-16(11-9-15)28-17(6-4-2)13-21(26)27/h8-11,17,25H,3-7,12-14H2,1-2H3,(H,26,27)