2-cyano-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-cyano-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-cyano-butanoic acid CAS Name: 2-cyano-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-cyano-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-cyano-butyric acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-2-13(9-14,11(16)17)15-12(18)19-8-10-6-4-3-5-7-10/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17)