3-(1-ethoxy-1-oxidanylidene-hexan-2-yl)-5-methyl-imidazole-4-carboxylic acid

Systemtic Name: 3-(1-ethoxy-1-oxidanylidene-hexan-2-yl)-5-methyl-imidazole-4-carboxylic acid Openeye Name: 3-(1-ethoxycarbonylpentyl)-5-methyl-imidazole-4-carboxylic acid CAS Name: 3-(1-ethoxy-1-oxohexan-2-yl)-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-(1-ethoxy-1-oxohexan-2-yl)-5-methylimidazole-4-carboxylic acid Traditional Name: 3-(1-carbethoxypentyl)-5-methyl-imidazole-4-carboxylic acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)N1C=NC(=C1C(=O)O)C

Isomeric SMILES

CCCCC(C(=O)OCC)N1C=NC(=C1C(=O)O)C

InChI

InChI=1S/C13H20N2O4/c1-4-6-7-10(13(18)19-5-2)15-8-14-9(3)11(15)12(16)17/h8,10H,4-7H2,1-3H3,(H,16,17)