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

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanoic acid Traditional Name: 3-(vanillylamino)propionic acid Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC(=O)O)O

InChI

InChI=1S/C11H15NO4/c1-16-10-6-8(2-3-9(10)13)7-12-5-4-11(14)15/h2-3,6,12-13H,4-5,7H2,1H3,(H,14,15)