3-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid

Systemtic Name: 3-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Openeye Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid CAS Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid IUPAC Name: 3-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Traditional Name: 3-[(5-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:

C1COC2=C(O1)C=C(C=C2Br)CNCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Br)CNCCC(=O)O

InChI

InChI=1S/C12H14BrNO4/c13-9-5-8(7-14-2-1-11(15)16)6-10-12(9)18-4-3-17-10/h5-6,14H,1-4,7H2,(H,15,16)