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

Systemtic Name: 1-[2-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]pyrrole-3-carboxylic acid Openeye Name: 1-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]pyrrole-3-carboxylic acid CAS Name: 1-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]pyrrole-3-carboxylic acid Traditional Name: 1-[2-[(2-butyl-1-chloro-5-methylol-imidazol-4-yl)methyl]phenyl]pyrrole-3-carboxylic acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=CC=C2N3C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=CC=C2N3C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H22ClN3O3/c1-2-3-8-19-22-16(18(13-25)24(19)21)11-14-6-4-5-7-17(14)23-10-9-15(12-23)20(26)27/h4-7,9-10,12,25H,2-3,8,11,13H2,1H3,(H,26,27)