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

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-ethoxy-phenyl]methylamino]propanoic acid Openeye Name: 3-[(3,5-dibromo-4-ethoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3,5-dibromo-4-ethoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3,5-dibromo-4-ethoxy-benzyl)amino]propionic acid Formula: C12H15Br2NO3 MolecularWeight: 381.0604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Br2NO3/c1-2-18-12-9(13)5-8(6-10(12)14)7-15-4-3-11(16)17/h5-6,15H,2-4,7H2,1H3,(H,16,17)