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

Systemtic Name: methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methyl-propanoate CAS Name: 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate Traditional Name: 2-methyl-2-(protocatechuylamino)propionic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-12(2,11(16)17-3)13-7-8-4-5-9(14)10(15)6-8/h4-6,13-15H,7H2,1-3H3