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

Systemtic Name: 3-[(3-chlorophenyl)-(2-cyanoethyl)amino]propanoic acid Openeye Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanoic acid CAS Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanoic acid IUPAC Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanoic acid Traditional Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propionic acid Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O2/c13-10-3-1-4-11(9-10)15(7-2-6-14)8-5-12(16)17/h1,3-4,9H,2,5,7-8H2,(H,16,17)