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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]ethanoic acid Openeye Name: 2-[allyl(1,3-benzodioxol-5-ylmethyl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(prop-2-enyl)amino]acetic acid Traditional Name: 2-[allyl(piperonyl)amino]acetic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-5-14(8-13(15)16)7-10-3-4-11-12(6-10)18-9-17-11/h2-4,6H,1,5,7-9H2,(H,15,16)