dimethyl 4-[1-(3-bromophenyl)cyclohexyl]-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-[1-(3-bromophenyl)cyclohexyl]-4-cyano-heptanedioate Openeye Name: dimethyl 4-[1-(3-bromophenyl)cyclohexyl]-4-cyano-heptanedioate CAS Name: 4-[1-(3-bromophenyl)cyclohexyl]-4-cyanoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-[1-(3-bromophenyl)cyclohexyl]-4-cyanoheptanedioate Traditional Name: 4-[1-(3-bromophenyl)cyclohexyl]-4-cyano-pimelic acid dimethyl ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)(C#N)C1(CCCCC1)C2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)(C#N)C1(CCCCC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C22H28BrNO4/c1-27-19(25)9-13-21(16-24,14-10-20(26)28-2)22(11-4-3-5-12-22)17-7-6-8-18(23)15-17/h6-8,15H,3-5,9-14H2,1-2H3