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

Systemtic Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; prop-2-enoic acid Openeye Name: acrylic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone; 2-propenoic acid IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one; prop-2-enoic acid Traditional Name: acrylic acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2.C3H4O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;1-2-3(4)5/h5,7-8,10H,3-4,6H2,1-2H3;2H,1H2,(H,4,5)/t8-,10-;/m0./s1