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

Systemtic Name: 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylic acid Openeye Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylic acid CAS Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-4-carboxylic acid Traditional Name: 3-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]isonicotinic 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=CN=C3)C(=O)O)CO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-2-3-4-19-24-20(22)18(13-26)25(19)12-14-5-7-15(8-6-14)17-11-23-10-9-16(17)21(27)28/h5-11,26H,2-4,12-13H2,1H3,(H,27,28)