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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)CO)C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H]([C@@H](CC1=CN=CN1C)CO)C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H26N2O3/c1-3-18(16(13-22)11-17-12-20-14-21(17)2)19(23)24-10-9-15-7-5-4-6-8-15/h4-8,12,14,16,18,22H,3,9-11,13H2,1-2H3/t16-,18-/m0/s1