3-cyano-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-cyano-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-cyano-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-cyano-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-cyano-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-cyano-3-(3,4-dimethoxyphenyl)propionic acid Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-16-10-4-3-8(5-11(10)17-2)9(7-13)6-12(14)15/h3-5,9H,6H2,1-2H3,(H,14,15)