ethanoic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

Systemtic Name: ethanoic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Openeye Name: acetic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one CAS Name: acetic acid; (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone IUPAC Name: acetic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Traditional Name: acetic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=CN=CN2C.CC(=O)O

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CC(=O)O

InChI

InChI=1S/C11H16N2O2.C2H4O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;1-2(3)4/h5,7-8,10H,3-4,6H2,1-2H3;1H3,(H,3,4)/t8-,10-;/m0./s1