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

Systemtic Name: 3-[[2-(2-cyanoethyl)-3-methyl-phenyl]amino]oxy-3-propanoyloxy-propanoic acid; ethane Openeye Name: 3-[2-(2-cyanoethyl)-3-methyl-anilino]oxy-3-propanoyloxy-propanoic acid; ethane CAS Name: 3-[2-(2-cyanoethyl)-3-methylanilino]oxy-3-(1-oxopropoxy)propanoic acid; ethane IUPAC Name: 3-[2-(2-cyanoethyl)-3-methylanilino]oxy-3-propanoyloxypropanoic acid; ethane Traditional Name: 3-[2-(2-cyanoethyl)-3-methyl-anilino]oxy-3-propionyloxy-propionic acid; ethane Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5.C2H6/c1-3-15(21)22-16(10-14(19)20)23-18-13-8-4-6-11(2)12(13)7-5-9-17;1-2/h4,6,8,16,18H,3,5,7,10H2,1-2H3,(H,19,20);1-2H3