2-(aminomethyl)-4-(3-methoxy-4-oxidanyl-phenyl)butanoic acid

Systemtic Name: 2-(aminomethyl)-4-(3-methoxy-4-oxidanyl-phenyl)butanoic acid Openeye Name: 2-(aminomethyl)-4-(4-hydroxy-3-methoxy-phenyl)butanoic acid CAS Name: 2-(aminomethyl)-4-(4-hydroxy-3-methoxyphenyl)butanoic acid IUPAC Name: 2-(aminomethyl)-4-(4-hydroxy-3-methoxyphenyl)butanoic acid Traditional Name: 2-(aminomethyl)-4-(4-hydroxy-3-methoxy-phenyl)butyric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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