3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methylamino]propanoic acid Openeye Name: 3-[(3,5-dibromo-2-methoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3,5-dibromo-2-methoxy-benzyl)amino]propionic acid Formula: C11H13Br2NO3 MolecularWeight: 367.03382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CNCCC(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1CNCCC(=O)O)Br)Br

InChI

InChI=1S/C11H13Br2NO3/c1-17-11-7(4-8(12)5-9(11)13)6-14-3-2-10(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)