3-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(3-ethoxy-2-hydroxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3-ethoxy-2-hydroxy-benzyl)amino]propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CNCCC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1O)CNCCC(=O)O

InChI

InChI=1S/C12H17NO4/c1-2-17-10-5-3-4-9(12(10)16)8-13-7-6-11(14)15/h3-5,13,16H,2,6-8H2,1H3,(H,14,15)