(2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylhexanoate

Systemtic Name: (2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylhexanoate Openeye Name: (2R)-2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylhexanoate CAS Name: (2R)-2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]hexanoate IUPAC Name: (2R)-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylhexanoate Traditional Name: (2R)-2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]hexanoate Formula: C18H23N2O3S- MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=CN1CC2=CC=C(C=C2)C)CO

Isomeric SMILES

CCCC[C@H](C(=O)[O-])SC1=NC(=CN1CC2=CC=C(C=C2)C)CO

InChI

InChI=1S/C18H24N2O3S/c1-3-4-5-16(17(22)23)24-18-19-15(12-21)11-20(18)10-14-8-6-13(2)7-9-14/h6-9,11,16,21H,3-5,10,12H2,1-2H3,(H,22,23)/p-1/t16-/m1/s1