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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(4-hydroxy-3-methoxy-benzoyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-(vanilloylamino)propionic acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6/c1-18-9-4-6(2-3-8(9)14)10(15)12-7(5-13)11(16)17/h2-4,7,13-14H,5H2,1H3,(H,12,15)(H,16,17)