2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]ethanoic acid

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]ethanoic acid Openeye Name: 2-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylamino]acetic acid CAS Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]acetic acid Traditional Name: 2-[(3-bromo-5-methoxy-4-propoxy-benzyl)amino]acetic acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNCC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNCC(=O)O)OC

InChI

InChI=1S/C13H18BrNO4/c1-3-4-19-13-10(14)5-9(6-11(13)18-2)7-15-8-12(16)17/h5-6,15H,3-4,7-8H2,1-2H3,(H,16,17)