2-[2-(2-azanylethyl)-6-bromanyl-3,4,5-trimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-(2-azanylethyl)-6-bromanyl-3,4,5-trimethoxy-phenyl]ethanoic acid Openeye Name: 2-[2-(2-aminoethyl)-6-bromo-3,4,5-trimethoxy-phenyl]acetic acid CAS Name: 2-[2-(2-aminoethyl)-6-bromo-3,4,5-trimethoxyphenyl]acetic acid IUPAC Name: 2-[2-(2-aminoethyl)-6-bromo-3,4,5-trimethoxyphenyl]acetic acid Traditional Name: 2-[2-(2-aminoethyl)-6-bromo-3,4,5-trimethoxy-phenyl]acetic acid Formula: C13H18BrNO5 MolecularWeight: 348.18972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1CCN)CC(=O)O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1CCN)CC(=O)O)Br)OC)OC

InChI

InChI=1S/C13H18BrNO5/c1-18-11-7(4-5-15)8(6-9(16)17)10(14)12(19-2)13(11)20-3/h4-6,15H2,1-3H3,(H,16,17)