ethyl 3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)hexanoate

Systemtic Name: ethyl 3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)hexanoate Openeye Name: ethyl 3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)hexanoate CAS Name: 3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)hexanoic acid ethyl ester IUPAC Name: ethyl 3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)hexanoate Traditional Name: 4-(3-methylimidazol-4-yl)-3-methylol-hexanoic acid ethyl ester Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=CN1C)C(CC(=O)OCC)CO

Isomeric SMILES

CCC(C1=CN=CN1C)C(CC(=O)OCC)CO

InChI

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