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

Systemtic Name: hexyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: hexyl (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 hexyl ester IUPAC Name: hexyl (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 hexyl ester Formula: C17H30N2O3 MolecularWeight: 310.4317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)C(CC1=CN=CN1C)CO

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O3/c1-4-6-7-8-9-22-17(21)16(5-2)14(12-20)10-15-11-18-13-19(15)3/h11,13-14,16,20H,4-10,12H2,1-3H3/t14-,16-/m0/s1