3-[3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid

Systemtic Name: 3-[3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[3-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[3-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]picolinic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC(=C2)C3=C(N=CC=C3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC(=C2)C3=C(N=CC=C3)C(=O)O)CO)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-2-3-9-18-24-20(22)17(13-26)25(18)12-14-6-4-7-15(11-14)16-8-5-10-23-19(16)21(27)28/h4-8,10-11,26H,2-3,9,12-13H2,1H3,(H,27,28)