dimethyl 4-cyano-4-(3,4-dichlorophenyl)heptanedioate

Systemtic Name: dimethyl 4-cyano-4-(3,4-dichlorophenyl)heptanedioate Openeye Name: dimethyl 4-cyano-4-(3,4-dichlorophenyl)heptanedioate CAS Name: 4-cyano-4-(3,4-dichlorophenyl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-(3,4-dichlorophenyl)heptanedioate Traditional Name: 4-cyano-4-(3,4-dichlorophenyl)pimelic acid dimethyl ester Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2NO4/c1-22-14(20)5-7-16(10-19,8-6-15(21)23-2)11-3-4-12(17)13(18)9-11/h3-4,9H,5-8H2,1-2H3