2-[1,3-benzodioxol-5-yl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-yl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-yl(benzyl)amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-yl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-yl(benzyl)amino]acetic acid Traditional Name: 2-[1,3-benzodioxol-5-yl(benzyl)amino]acetic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C16H15NO4/c18-16(19)10-17(9-12-4-2-1-3-5-12)13-6-7-14-15(8-13)21-11-20-14/h1-8H,9-11H2,(H,18,19)