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

Systemtic Name: 2,4-bis[[3,4-bis(oxidanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2,4-bis[(3,4-dihydroxybenzoyl)amino]butanoic acid CAS Name: 2,4-bis[[(3,4-dihydroxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 2,4-bis[(3,4-dihydroxybenzoyl)amino]butanoic acid Traditional Name: 2,4-bis(protocatechuoylamino)butyric acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C18H18N2O8/c21-12-3-1-9(7-14(12)23)16(25)19-6-5-11(18(27)28)20-17(26)10-2-4-13(22)15(24)8-10/h1-4,7-8,11,21-24H,5-6H2,(H,19,25)(H,20,26)(H,27,28)