4-azanyl-4-(2-chloranyl-4,5-dimethoxy-phenyl)butanoic acid

Systemtic Name: 4-azanyl-4-(2-chloranyl-4,5-dimethoxy-phenyl)butanoic acid Openeye Name: 4-amino-4-(2-chloro-4,5-dimethoxy-phenyl)butanoic acid CAS Name: 4-amino-4-(2-chloro-4,5-dimethoxyphenyl)butanoic acid IUPAC Name: 4-amino-4-(2-chloro-4,5-dimethoxyphenyl)butanoic acid Traditional Name: 4-amino-4-(2-chloro-4,5-dimethoxy-phenyl)butyric acid Formula: C12H16ClNO4 MolecularWeight: 273.71274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CCC(=O)O)N)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CCC(=O)O)N)Cl)OC

InChI

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