ethyl 2-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-(1H-imidazol-5-ylmethyl)-5-methyl-2-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-3-oxo-hexanoate CAS Name: 2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-3-oxohexanoate Traditional Name: 2-hydroxy-2-(1H-imidazol-5-ylmethyl)-3-keto-5-methyl-hexanoic acid ethyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CN1)(C(=O)CC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC1=CN=CN1)(C(=O)CC(C)C)O

InChI

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