3-[[2-(2-cyanoethyl)-3-methyl-phenyl]amino]oxy-3-propanoyloxy-propanoic acid

Systemtic Name: 3-[[2-(2-cyanoethyl)-3-methyl-phenyl]amino]oxy-3-propanoyloxy-propanoic acid Openeye Name: 3-[2-(2-cyanoethyl)-3-methyl-anilino]oxy-3-propanoyloxy-propanoic acid CAS Name: 3-[2-(2-cyanoethyl)-3-methylanilino]oxy-3-(1-oxopropoxy)propanoic acid IUPAC Name: 3-[2-(2-cyanoethyl)-3-methylanilino]oxy-3-propanoyloxypropanoic acid Traditional Name: 3-[2-(2-cyanoethyl)-3-methyl-anilino]oxy-3-propionyloxy-propionic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC(=O)O)ONC1=CC=CC(=C1CCC#N)C

Isomeric SMILES

CCC(=O)OC(CC(=O)O)ONC1=CC=CC(=C1CCC#N)C

InChI

InChI=1S/C16H20N2O5/c1-3-15(21)22-16(10-14(19)20)23-18-13-8-4-6-11(2)12(13)7-5-9-17/h4,6,8,16,18H,3,5,7,10H2,1-2H3,(H,19,20)