2-(2-cyanoethylamino)-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-(2-cyanoethylamino)-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-(2-cyanoethylamino)propanoic acid CAS Name: 2-(2-cyanoethylamino)-3-phenylmethoxypropanoic acid IUPAC Name: 2-(2-cyanoethylamino)-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-(2-cyanoethylamino)propionic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)O)NCCC#N

InChI

InChI=1S/C13H16N2O3/c14-7-4-8-15-12(13(16)17)10-18-9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,8-10H2,(H,16,17)