diethyl 2-[2-(4-chlorophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylpropanedioate

Systemtic Name: diethyl 2-[2-(4-chlorophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylpropanedioate Openeye Name: diethyl 2-[2-(4-chlorophenyl)-6,8-dimethyl-quinoline-4-carbonyl]propanedioate CAS Name: 2-[[2-(4-chlorophenyl)-6,8-dimethyl-4-quinolinyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carbonyl]propanedioate Traditional Name: 2-[2-(4-chlorophenyl)-6,8-dimethyl-quinoline-4-carbonyl]malonic acid diethyl ester Formula: C25H24ClNO5 MolecularWeight: 453.91476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C25H24ClNO5/c1-5-31-24(29)21(25(30)32-6-2)23(28)19-13-20(16-7-9-17(26)10-8-16)27-22-15(4)11-14(3)12-18(19)22/h7-13,21H,5-6H2,1-4H3