2-[2-(2-azanylethyl)-4,5-dimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-(2-azanylethyl)-4,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-[2-(2-aminoethyl)-4,5-dimethoxy-phenyl]acetic acid CAS Name: 2-[2-(2-aminoethyl)-4,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-[2-(2-aminoethyl)-4,5-dimethoxyphenyl]acetic acid Traditional Name: 2-[2-(2-aminoethyl)-4,5-dimethoxy-phenyl]acetic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCN)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCN)CC(=O)O)OC

InChI

InChI=1S/C12H17NO4/c1-16-10-5-8(3-4-13)9(7-12(14)15)6-11(10)17-2/h5-6H,3-4,7,13H2,1-2H3,(H,14,15)