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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

InChI

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