2-[4-[[(4-chloranyl-2-methyl-phenoxy)-propanoyl-amino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[(4-chloranyl-2-methyl-phenoxy)-propanoyl-amino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[(4-chloro-2-methyl-phenoxy)-propanoyl-amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[(4-chloro-2-methylphenoxy)-(1-oxopropyl)amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[(4-chloro-2-methylphenoxy)-propanoylamino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[(4-chloro-2-methyl-phenoxy)-propionyl-amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)OC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCC(=O)N(CC1=CC=C(C=C1)OC(C)(C)C(=O)O)OC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C21H24ClNO5/c1-5-19(24)23(28-18-11-8-16(22)12-14(18)2)13-15-6-9-17(10-7-15)27-21(3,4)20(25)26/h6-12H,5,13H2,1-4H3,(H,25,26)