diethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]propanedioate

Systemtic Name: diethyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]propanedioate Openeye Name: diethyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]propanedioate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propanedioate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]malonic acid diethyl ester Formula: C18H24ClNO6 MolecularWeight: 385.83926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCCOC1=C(C=C(C=C1)Cl)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCCOC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C18H24ClNO6/c1-4-24-17(22)16(18(23)25-5-2)20-15(21)7-6-10-26-14-9-8-13(19)11-12(14)3/h8-9,11,16H,4-7,10H2,1-3H3,(H,20,21)