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

Systemtic Name: 2-[6-(2-acetamidopropyl)-1,3-benzodioxol-5-yl]ethanoic acid Openeye Name: 2-[6-(2-acetamidopropyl)-1,3-benzodioxol-5-yl]acetic acid CAS Name: 2-[6-(2-acetamidopropyl)-1,3-benzodioxol-5-yl]acetic acid IUPAC Name: 2-[6-(2-acetamidopropyl)-1,3-benzodioxol-5-yl]acetic acid Traditional Name: 2-[6-(2-acetamidopropyl)-1,3-benzodioxol-5-yl]acetic acid Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1CC(=O)O)OCO2)NC(=O)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1CC(=O)O)OCO2)NC(=O)C

InChI

InChI=1S/C14H17NO5/c1-8(15-9(2)16)3-10-4-12-13(20-7-19-12)5-11(10)6-14(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)