dipropyl 4-cyano-4-(2,5-dimethoxyphenyl)heptanedioate

Systemtic Name: dipropyl 4-cyano-4-(2,5-dimethoxyphenyl)heptanedioate Openeye Name: dipropyl 4-cyano-4-(2,5-dimethoxyphenyl)heptanedioate CAS Name: 4-cyano-4-(2,5-dimethoxyphenyl)heptanedioic acid dipropyl ester IUPAC Name: dipropyl 4-cyano-4-(2,5-dimethoxyphenyl)heptanedioate Traditional Name: 4-cyano-4-(2,5-dimethoxyphenyl)pimelic acid dipropyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(CCC(=O)OCCC)(C#N)C1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CCCOC(=O)CCC(CCC(=O)OCCC)(C#N)C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C22H31NO6/c1-5-13-28-20(24)9-11-22(16-23,12-10-21(25)29-14-6-2)18-15-17(26-3)7-8-19(18)27-4/h7-8,15H,5-6,9-14H2,1-4H3