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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CC(=C(C=C1)O)O

Isomeric SMILES

COC(=O)CCNCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C11H15NO4/c1-16-11(15)4-5-12-7-8-2-3-9(13)10(14)6-8/h2-3,6,12-14H,4-5,7H2,1H3