2-[2-(3-chloranylpropyl)-3,4-dimethoxy-phenyl]-2-cyano-ethanoic acid

Systemtic Name: 2-[2-(3-chloranylpropyl)-3,4-dimethoxy-phenyl]-2-cyano-ethanoic acid Openeye Name: 2-[2-(3-chloropropyl)-3,4-dimethoxy-phenyl]-2-cyano-acetic acid CAS Name: 2-[2-(3-chloropropyl)-3,4-dimethoxyphenyl]-2-cyanoacetic acid IUPAC Name: 2-[2-(3-chloropropyl)-3,4-dimethoxyphenyl]-2-cyanoacetic acid Traditional Name: 2-[2-(3-chloropropyl)-3,4-dimethoxy-phenyl]-2-cyano-acetic acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C#N)C(=O)O)CCCCl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C#N)C(=O)O)CCCCl)OC

InChI

InChI=1S/C14H16ClNO4/c1-19-12-6-5-9(11(8-16)14(17)18)10(4-3-7-15)13(12)20-2/h5-6,11H,3-4,7H2,1-2H3,(H,17,18)