2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(3,4-dihydroxybenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(3,4-dihydroxybenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(protocatechuoylamino)propionic acid Formula: C16H15NO6 MolecularWeight: 317.2934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C16H15NO6/c18-11-4-1-9(2-5-11)7-12(16(22)23)17-15(21)10-3-6-13(19)14(20)8-10/h1-6,8,12,18-20H,7H2,(H,17,21)(H,22,23)