dimethyl 4-(2-chlorophenyl)-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-(2-chlorophenyl)-4-cyano-heptanedioate Openeye Name: dimethyl 4-(2-chlorophenyl)-4-cyano-heptanedioate CAS Name: 4-(2-chlorophenyl)-4-cyanoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-(2-chlorophenyl)-4-cyanoheptanedioate Traditional Name: 4-(2-chlorophenyl)-4-cyano-pimelic acid dimethyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC=CC=C1Cl

InChI

InChI=1S/C16H18ClNO4/c1-21-14(19)7-9-16(11-18,10-8-15(20)22-2)12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3