3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-butanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonylbutanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonylbutanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-carbethoxy-butyric acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(C)C1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C14H16O6/c1-3-18-14(17)12(13(15)16)8(2)9-4-5-10-11(6-9)20-7-19-10/h4-6,8,12H,3,7H2,1-2H3,(H,15,16)