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

Systemtic Name: 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-2-yl]methyl]phenyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-2-yl]methyl]phenyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-2-imidazolyl]methyl]phenyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-2-yl]methyl]phenyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 3-[4-[(2-butyl-4-chloro-5-methylol-imidazol-2-yl)methyl]phenyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N=C(C(=N1)Cl)CO)CC2=CC=C(C=C2)C3=C(N(C=C3)C)C(=O)O

Isomeric SMILES

CCCCC1(N=C(C(=N1)Cl)CO)CC2=CC=C(C=C2)C3=C(N(C=C3)C)C(=O)O

InChI

InChI=1S/C21H24ClN3O3/c1-3-4-10-21(23-17(13-26)19(22)24-21)12-14-5-7-15(8-6-14)16-9-11-25(2)18(16)20(27)28/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H,27,28)