[4-[[2-butyl-1-chloranyl-5-(hydroxymethyl)imidazol-4-yl]methyl]phenyl] 1-methylpyrrole-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(=O)C3=CC=CN3C

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CO)CC2=CC=C(C=C2)OC(=O)C3=CC=CN3C

InChI

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