(2S)-2-(3-cyanophenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(3-cyanophenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(3-cyanophenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(3-cyanophenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(3-cyanophenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(3-cyanophenoxy)-3-methyl-butyrate Formula: C12H12NO3- MolecularWeight: 218.22858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])OC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])OC1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H13NO3/c1-8(2)11(12(14)15)16-10-5-3-4-9(6-10)7-13/h3-6,8,11H,1-2H3,(H,14,15)/p-1/t11-/m0/s1