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

Systemtic Name: 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]ethanoic acid Openeye Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]acetic acid CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]acetic acid Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]acetic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCC(=O)O)Br

InChI

InChI=1S/C12H14BrNO4/c1-18-10-4-2-8(6-9(10)13)3-5-11(15)14-7-12(16)17/h2,4,6H,3,5,7H2,1H3,(H,14,15)(H,16,17)