2-(2-cyanoethyl)-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-(2-cyanoethyl)propanedioic acid CAS Name: 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-(2-cyanoethyl)propanedioic acid Traditional Name: 2-benzyl-2-(2-cyanoethyl)malonic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c14-8-4-7-13(11(15)16,12(17)18)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7,9H2,(H,15,16)(H,17,18)