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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(phenethyl)amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(phenethyl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(phenethyl)amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(phenethyl)amino]acetic acid Traditional Name: 2-[phenethyl(piperonyl)amino]acetic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H19NO4/c20-18(21)12-19(9-8-14-4-2-1-3-5-14)11-15-6-7-16-17(10-15)23-13-22-16/h1-7,10H,8-9,11-13H2,(H,20,21)