diethyl 2-[[5-(hydroxymethyl)-1H-imidazol-4-yl]methyl]propanedioate

Systemtic Name: diethyl 2-[[5-(hydroxymethyl)-1H-imidazol-4-yl]methyl]propanedioate Openeye Name: diethyl 2-[[5-(hydroxymethyl)-1H-imidazol-4-yl]methyl]propanedioate CAS Name: 2-[[5-(hydroxymethyl)-1H-imidazol-4-yl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-(hydroxymethyl)-1H-imidazol-4-yl]methyl]propanedioate Traditional Name: 2-[(5-methylol-1H-imidazol-4-yl)methyl]malonic acid diethyl ester Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC=N1)CO)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=C(NC=N1)CO)C(=O)OCC

InChI

InChI=1S/C12H18N2O5/c1-3-18-11(16)8(12(17)19-4-2)5-9-10(6-15)14-7-13-9/h7-8,15H,3-6H2,1-2H3,(H,13,14)