(2R,3R)-2-cyano-3-(4-methoxy-3-methyl-phenyl)butanoic acid

Systemtic Name: (2R,3R)-2-cyano-3-(4-methoxy-3-methyl-phenyl)butanoic acid Openeye Name: (2R,3R)-2-cyano-3-(4-methoxy-3-methyl-phenyl)butanoic acid CAS Name: (2R,3R)-2-cyano-3-(4-methoxy-3-methylphenyl)butanoic acid IUPAC Name: (2R,3R)-2-cyano-3-(4-methoxy-3-methylphenyl)butanoic acid Traditional Name: (2R,3R)-2-cyano-3-(4-methoxy-3-methyl-phenyl)butyric acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)C(C#N)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C)[C@H](C#N)C(=O)O)OC

InChI

InChI=1S/C13H15NO3/c1-8-6-10(4-5-12(8)17-3)9(2)11(7-14)13(15)16/h4-6,9,11H,1-3H3,(H,15,16)/t9-,11-/m0/s1