(2S)-2-[2-cyanoethyl(phenyl)amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-cyanoethyl(phenyl)amino]-3-methyl-butanoate Openeye Name: (2S)-2-[N-(2-cyanoethyl)anilino]-3-methyl-butanoate CAS Name: (2S)-2-[N-(2-cyanoethyl)anilino]-3-methylbutanoate IUPAC Name: (2S)-2-[N-(2-cyanoethyl)anilino]-3-methylbutanoate Traditional Name: (2S)-2-[N-(2-cyanoethyl)anilino]-3-methyl-butyrate Formula: C14H17N2O2- MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-11(2)13(14(17)18)16(10-6-9-15)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,10H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1