2-(2-cyanoethanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-3-phenyl-propionic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c13-7-6-11(15)14-10(12(16)17)8-9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,14,15)(H,16,17)