(2R)-2-cyano-2-methyl-3-phenyl-propanoate; [(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (2R)-2-cyano-2-methyl-3-phenyl-propanoate; [(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: (2R)-2-cyano-2-methyl-3-phenyl-propanoate; [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: (2R)-2-cyano-2-methyl-3-phenylpropanoate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: (2R)-2-cyano-2-methyl-3-phenylpropanoate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: (2R)-2-cyano-2-methyl-3-phenyl-propionate; [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH3+].CC(CC1=CC=CC=C1)(C#N)C(=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH3+].C[C@@](CC1=CC=CC=C1)(C#N)C(=O)[O-]

InChI

InChI=1S/C11H11NO2.C9H13NO/c1-11(8-12,10(13)14)7-9-5-3-2-4-6-9;1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14);2-7,9,11H,10H2,1H3/t11-;7-,9-/m10/s1