2-(cyanoamino)-2-phenylmethoxycarbonyl-butanoic acid

Systemtic Name: 2-(cyanoamino)-2-phenylmethoxycarbonyl-butanoic acid Openeye Name: 2-benzyloxycarbonyl-2-(cyanoamino)butanoic acid CAS Name: 2-(cyanoamino)-2-phenylmethoxycarbonylbutanoic acid IUPAC Name: 2-(cyanoamino)-2-phenylmethoxycarbonylbutanoic acid Traditional Name: 2-carbobenzoxy-2-(cyanoamino)butyric acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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