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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(4-hydroxy-3-methoxy-benzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-hydroxy-3-methoxybenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-(vanilloylamino)butyric acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-6(14)10(12(17)18)13-11(16)7-3-4-8(15)9(5-7)19-2/h3-6,10,14-15H,1-2H3,(H,13,16)(H,17,18)