2-(aminomethyl)-3-(3-ethoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(aminomethyl)-3-(3-ethoxy-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(aminomethyl)-3-(3-ethoxy-4-hydroxy-phenyl)propanoic acid CAS Name: 2-(aminomethyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-(aminomethyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid Traditional Name: 2-(aminomethyl)-3-(3-ethoxy-4-hydroxy-phenyl)propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(CN)C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(CN)C(=O)O)O

InChI

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