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

Systemtic Name: 2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]ethanoic acid Openeye Name: 2-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]acetic acid CAS Name: 2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]acetic acid Traditional Name: 2-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]acetic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNCC(=O)O)OC

InChI

InChI=1S/C12H16BrNO4/c1-3-18-12-9(13)4-8(5-10(12)17-2)6-14-7-11(15)16/h4-5,14H,3,6-7H2,1-2H3,(H,15,16)