3-[(3-acetamidophenyl)-(2-cyanoethyl)amino]propanoic acid

Systemtic Name: 3-[(3-acetamidophenyl)-(2-cyanoethyl)amino]propanoic acid Openeye Name: 3-[3-acetamido-N-(2-cyanoethyl)anilino]propanoic acid CAS Name: 3-[3-acetamido-N-(2-cyanoethyl)anilino]propanoic acid IUPAC Name: 3-[3-acetamido-N-(2-cyanoethyl)anilino]propanoic acid Traditional Name: 3-[3-acetamido-N-(2-cyanoethyl)anilino]propionic acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCC(=O)O

InChI

InChI=1S/C14H17N3O3/c1-11(18)16-12-4-2-5-13(10-12)17(8-3-7-15)9-6-14(19)20/h2,4-5,10H,3,6,8-9H2,1H3,(H,16,18)(H,19,20)