dipropan-2-yl 4-cyano-4-(2,4-dichlorophenyl)heptanedioate

Systemtic Name: dipropan-2-yl 4-cyano-4-(2,4-dichlorophenyl)heptanedioate Openeye Name: diisopropyl 4-cyano-4-(2,4-dichlorophenyl)heptanedioate CAS Name: 4-cyano-4-(2,4-dichlorophenyl)heptanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 4-cyano-4-(2,4-dichlorophenyl)heptanedioate Traditional Name: 4-cyano-4-(2,4-dichlorophenyl)pimelic acid diisopropyl ester Formula: C20H25Cl2NO4 MolecularWeight: 414.3228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC(CCC(=O)OC(C)C)(C#N)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)OC(=O)CCC(CCC(=O)OC(C)C)(C#N)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C20H25Cl2NO4/c1-13(2)26-18(24)7-9-20(12-23,10-8-19(25)27-14(3)4)16-6-5-15(21)11-17(16)22/h5-6,11,13-14H,7-10H2,1-4H3