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

Systemtic Name: (4-tert-butylphenyl)methyl (2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: (4-tert-butylphenyl)methyl (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-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)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-tert-butylbenzyl) ester Formula: C22H32N2O3 MolecularWeight: 372.50108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-6-20(17(13-25)11-19-12-23-15-24(19)5)21(26)27-14-16-7-9-18(10-8-16)22(2,3)4/h7-10,12,15,17,20,25H,6,11,13-14H2,1-5H3/t17-,20-/m0/s1