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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O)CO)Cl

InChI

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