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

Systemtic Name: 4-[2-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)-4-imidazolyl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-[[2-butyl-1-chloro-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-[(2-butyl-1-chloro-5-methylol-imidazol-4-yl)methyl]phenyl]-1H-pyrrole-2-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=C2C3=CNC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=CC=C2C3=CNC(=C3)C(=O)O

InChI

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