methyl 3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]propanoate

Systemtic Name: methyl 3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]propanoate Openeye Name: methyl 3-[1-(2,5-dihydroxyphenyl)ethylamino]propanoate CAS Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2,5-dihydroxyphenyl)ethylamino]propanoate Traditional Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]propionic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)O)O)NCCC(=O)OC

Isomeric SMILES

CC(C1=C(C=CC(=C1)O)O)NCCC(=O)OC

InChI

InChI=1S/C12H17NO4/c1-8(13-6-5-12(16)17-2)10-7-9(14)3-4-11(10)15/h3-4,7-8,13-15H,5-6H2,1-2H3