2-[1-methoxy-3-(3-methylimidazol-4-yl)-1-oxidanylidene-propan-2-yl]pentanoic acid

Systemtic Name: 2-[1-methoxy-3-(3-methylimidazol-4-yl)-1-oxidanylidene-propan-2-yl]pentanoic acid Openeye Name: 2-[2-methoxy-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-ethyl]pentanoic acid CAS Name: 2-[1-methoxy-3-(3-methyl-4-imidazolyl)-1-oxopropan-2-yl]pentanoic acid IUPAC Name: 2-[1-methoxy-3-(3-methylimidazol-4-yl)-1-oxopropan-2-yl]pentanoic acid Traditional Name: 2-[2-keto-2-methoxy-1-[(3-methylimidazol-4-yl)methyl]ethyl]valeric acid Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1=CN=CN1C)C(=O)OC)C(=O)O

Isomeric SMILES

CCCC(C(CC1=CN=CN1C)C(=O)OC)C(=O)O

InChI

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