(2S)-2-[2-cyanoethyl(phenyl)amino]propanoate

Systemtic Name: (2S)-2-[2-cyanoethyl(phenyl)amino]propanoate Openeye Name: (2S)-2-[N-(2-cyanoethyl)anilino]propanoate CAS Name: (2S)-2-[N-(2-cyanoethyl)anilino]propanoate IUPAC Name: (2S)-2-[N-(2-cyanoethyl)anilino]propanoate Traditional Name: (2S)-2-[N-(2-cyanoethyl)anilino]propionate Formula: C12H13N2O2- MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2/c1-10(12(15)16)14(9-5-8-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,9H2,1H3,(H,15,16)/p-1/t10-/m0/s1