2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]ethanoic acid

Systemtic Name: 2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(2-acetamidoethyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC2=C(C=C1CC(=O)O)OCO2

Isomeric SMILES

CC(=O)NCCC1=CC2=C(C=C1CC(=O)O)OCO2

InChI

InChI=1S/C13H15NO5/c1-8(15)14-3-2-9-4-11-12(19-7-18-11)5-10(9)6-13(16)17/h4-5H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)