3-[(5-bromanyl-2-propoxy-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(5-bromanyl-2-propoxy-phenyl)methylamino]propanoic acid Openeye Name: 3-[(5-bromo-2-propoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(5-bromo-2-propoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(5-bromo-2-propoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(5-bromo-2-propoxy-benzyl)amino]propionic acid Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNCCC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNCCC(=O)O

InChI

InChI=1S/C13H18BrNO3/c1-2-7-18-12-4-3-11(14)8-10(12)9-15-6-5-13(16)17/h3-4,8,15H,2,5-7,9H2,1H3,(H,16,17)