(2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: (2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: (2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: (2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: (2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: (2R)-2-(cyanomethyl)-3-(3,4-dimethoxyphenyl)propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-17-11-4-3-9(8-12(11)18-2)7-10(5-6-14)13(15)16/h3-4,8,10H,5,7H2,1-2H3,(H,15,16)/t10-/m0/s1