4-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-oxo-butanoic acid CAS Name: 4-ethoxy-2-ethyl-3-[(3-methyl-4-imidazolyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-4-oxobutanoic acid Traditional Name: 4-ethoxy-2-ethyl-4-keto-3-[(3-methylimidazol-4-yl)methyl]butyric acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-4-10(12(16)17)11(13(18)19-5-2)6-9-7-14-8-15(9)3/h7-8,10-11H,4-6H2,1-3H3,(H,16,17)