3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]propanoic acid Openeye Name: 3-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]propionic acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNCCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNCCC(=O)O)OC

InChI

InChI=1S/C13H18BrNO4/c1-3-19-13-10(14)6-9(7-11(13)18-2)8-15-5-4-12(16)17/h6-7,15H,3-5,8H2,1-2H3,(H,16,17)