(2R)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2R)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)propanoic acid Openeye Name: (2R)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)propanoic acid CAS Name: (2R)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)propanoic acid IUPAC Name: (2R)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)propanoic acid Traditional Name: (2R)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)propionic acid Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@H](C#N)C(=O)O)O

InChI

InChI=1S/C11H11NO4/c1-16-10-3-2-7(5-9(10)13)4-8(6-12)11(14)15/h2-3,5,8,13H,4H2,1H3,(H,14,15)/t8-/m1/s1