3-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]propanoic acid

Systemtic Name: 3-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]propanoic acid Openeye Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]propanoic acid CAS Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]propanoic acid IUPAC Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]propanoic acid Traditional Name: 3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]propionic acid Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNCCC(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNCCC(=O)O)Br

InChI

InChI=1S/C11H12BrNO4/c12-8-3-7(5-13-2-1-10(14)15)4-9-11(8)17-6-16-9/h3-4,13H,1-2,5-6H2,(H,14,15)