2-[1,3-benzodioxol-5-ylmethyl(propyl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(propyl)amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(propyl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(propyl)amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(propyl)amino]acetic acid Traditional Name: 2-[piperonyl(propyl)amino]acetic acid Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC2=C(C=C1)OCO2)CC(=O)O

Isomeric SMILES

CCCN(CC1=CC2=C(C=C1)OCO2)CC(=O)O

InChI

InChI=1S/C13H17NO4/c1-2-5-14(8-13(15)16)7-10-3-4-11-12(6-10)18-9-17-11/h3-4,6H,2,5,7-9H2,1H3,(H,15,16)