2-(1,3-benzodioxol-5-yl)-3-(3-methylimidazol-4-yl)propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylimidazol-4-yl)propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylimidazol-4-yl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-imidazolyl)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylimidazol-4-yl)propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(3-methylimidazol-4-yl)propionic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CN1C=NC=C1CC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C14H14N2O4/c1-16-7-15-6-10(16)5-11(14(17)18)9-2-3-12-13(4-9)20-8-19-12/h2-4,6-7,11H,5,8H2,1H3,(H,17,18)