(phenylmethyl) (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: benzyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate CAS Name: (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Traditional Name: (2S,3R)-2-ethyl-4-hydroxy-3-[(3-methylimidazol-4-yl)methyl]butyric acid benzyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H]([C@@H](CC1=CN=CN1C)CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3/c1-3-17(15(11-21)9-16-10-19-13-20(16)2)18(22)23-12-14-7-5-4-6-8-14/h4-8,10,13,15,17,21H,3,9,11-12H2,1-2H3/t15-,17-/m0/s1