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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]pentanedioic acid Openeye Name: 2-[(4-hydroxy-3-methoxy-benzoyl)amino]pentanedioic acid CAS Name: 2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(4-hydroxy-3-methoxybenzoyl)amino]pentanedioic acid Traditional Name: 2-(vanilloylamino)glutaric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C13H15NO7/c1-21-10-6-7(2-4-9(10)15)12(18)14-8(13(19)20)3-5-11(16)17/h2,4,6,8,15H,3,5H2,1H3,(H,14,18)(H,16,17)(H,19,20)