(2S)-2-[4-(cyanomethyl)phenoxy]-3-methyl-butanoate

Systemtic Name: (2S)-2-[4-(cyanomethyl)phenoxy]-3-methyl-butanoate Openeye Name: (2S)-2-[4-(cyanomethyl)phenoxy]-3-methyl-butanoate CAS Name: (2S)-2-[4-(cyanomethyl)phenoxy]-3-methylbutanoate IUPAC Name: (2S)-2-[4-(cyanomethyl)phenoxy]-3-methylbutanoate Traditional Name: (2S)-2-[4-(cyanomethyl)phenoxy]-3-methyl-butyrate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-9(2)12(13(15)16)17-11-5-3-10(4-6-11)7-8-14/h3-6,9,12H,7H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1