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

Systemtic Name: 1-phenylethyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: 1-phenylethyl (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 1-phenylethyl ester IUPAC Name: 1-phenylethyl (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 1-phenylethyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-4-18(16(12-22)10-17-11-20-13-21(17)3)19(23)24-14(2)15-8-6-5-7-9-15/h5-9,11,13-14,16,18,22H,4,10,12H2,1-3H3/t14?,16-,18-/m0/s1