(phenylmethyl) 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propanoate Openeye Name: benzyl 2-[(3,4-dihydroxybenzoyl)amino]propanoate CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3,4-dihydroxybenzoyl)amino]propanoate Traditional Name: 2-(protocatechuoylamino)propionic acid benzyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H17NO5/c1-11(17(22)23-10-12-5-3-2-4-6-12)18-16(21)13-7-8-14(19)15(20)9-13/h2-9,11,19-20H,10H2,1H3,(H,18,21)