2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]propanoic acid Openeye Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]propanoic acid CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]propanoic acid Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]propionic acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)OC)Br

Isomeric SMILES

CC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C13H16BrNO4/c1-8(13(17)18)15-12(16)6-4-9-3-5-11(19-2)10(14)7-9/h3,5,7-8H,4,6H2,1-2H3,(H,15,16)(H,17,18)