methyl (2S)-2-[[3,4-bis(oxidanyl)phenyl]methylamino]propanoate

Systemtic Name: methyl (2S)-2-[[3,4-bis(oxidanyl)phenyl]methylamino]propanoate Openeye Name: methyl (2S)-2-[(3,4-dihydroxyphenyl)methylamino]propanoate CAS Name: (2S)-2-[(3,4-dihydroxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,4-dihydroxyphenyl)methylamino]propanoate Traditional Name: (2S)-2-(protocatechuylamino)propionic acid methyl ester Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCC1=CC(=C(C=C1)O)O

Isomeric SMILES

C[C@@H](C(=O)OC)NCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C11H15NO4/c1-7(11(15)16-2)12-6-8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3/t7-/m0/s1