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

Systemtic Name: (4-methylphenyl)methyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: p-tolylmethyl (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 (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (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 (4-methylbenzyl) ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-4-18(16(11-22)9-17-10-20-13-21(17)3)19(23)24-12-15-7-5-14(2)6-8-15/h5-8,10,13,16,18,22H,4,9,11-12H2,1-3H3/t16-,18-/m0/s1