3-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3-chloranyl-4,5-dimethoxy-phenyl)methylamino]propanoic acid Openeye Name: 3-[(3-chloro-4,5-dimethoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3-chloro-4,5-dimethoxy-benzyl)amino]propionic acid Formula: C12H16ClNO4 MolecularWeight: 273.71274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO4/c1-17-10-6-8(5-9(13)12(10)18-2)7-14-4-3-11(15)16/h5-6,14H,3-4,7H2,1-2H3,(H,15,16)