2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC2=C(C=C1Br)OCCO2

Isomeric SMILES

CC(C(=O)O)NCC1=CC2=C(C=C1Br)OCCO2

InChI

InChI=1S/C12H14BrNO4/c1-7(12(15)16)14-6-8-4-10-11(5-9(8)13)18-3-2-17-10/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)