diethyl 4-cyano-4-(2-methylphenyl)heptanedioate

Systemtic Name: diethyl 4-cyano-4-(2-methylphenyl)heptanedioate Openeye Name: diethyl 4-cyano-4-(o-tolyl)heptanedioate CAS Name: 4-cyano-4-(2-methylphenyl)heptanedioic acid diethyl ester IUPAC Name: diethyl 4-cyano-4-(2-methylphenyl)heptanedioate Traditional Name: 4-cyano-4-(o-tolyl)pimelic acid diethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CCC(=O)OCC)(C#N)C1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)CCC(CCC(=O)OCC)(C#N)C1=CC=CC=C1C

InChI

InChI=1S/C19H25NO4/c1-4-23-17(21)10-12-19(14-20,13-11-18(22)24-5-2)16-9-7-6-8-15(16)3/h6-9H,4-5,10-13H2,1-3H3