methyl (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-cyano-propanoate CAS Name: (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-cyano-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-cyano-propionic acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC#N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H14N2O4/c1-18-12(16)11(7-8-14)15-13(17)19-9-10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3,(H,15,17)/t11-/m0/s1