ethyl 2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate

Systemtic Name: ethyl 2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Openeye Name: ethyl 2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate CAS Name: 2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoate Traditional Name: 2-ethyl-4-hydroxy-3-[(3-methylimidazol-4-yl)methyl]butyric acid ethyl ester Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)CO)C(=O)OCC

Isomeric SMILES

CCC(C(CC1=CN=CN1C)CO)C(=O)OCC

InChI

InChI=1S/C13H22N2O3/c1-4-12(13(17)18-5-2)10(8-16)6-11-7-14-9-15(11)3/h7,9-10,12,16H,4-6,8H2,1-3H3