3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]propanoic acid Openeye Name: 3-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]propanoic acid CAS Name: 3-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]propanoic acid IUPAC Name: 3-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]propanoic acid Traditional Name: 3-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]propionic acid Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)O)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)O)Cl)OCC(=O)N

InChI

InChI=1S/C12H14ClNO5/c1-18-9-5-7(2-3-11(16)17)4-8(13)12(9)19-6-10(14)15/h4-5H,2-3,6H2,1H3,(H2,14,15)(H,16,17)