diethyl 4-cyano-4-(4-ethoxy-3-methyl-phenyl)heptanedioate

Systemtic Name: diethyl 4-cyano-4-(4-ethoxy-3-methyl-phenyl)heptanedioate Openeye Name: diethyl 4-cyano-4-(4-ethoxy-3-methyl-phenyl)heptanedioate CAS Name: 4-cyano-4-(4-ethoxy-3-methylphenyl)heptanedioic acid diethyl ester IUPAC Name: diethyl 4-cyano-4-(4-ethoxy-3-methylphenyl)heptanedioate Traditional Name: 4-cyano-4-(4-ethoxy-3-methyl-phenyl)pimelic acid diethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCC(=O)OCC)(CCC(=O)OCC)C#N)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCC(=O)OCC)(CCC(=O)OCC)C#N)C

InChI

InChI=1S/C21H29NO5/c1-5-25-18-9-8-17(14-16(18)4)21(15-22,12-10-19(23)26-6-2)13-11-20(24)27-7-3/h8-9,14H,5-7,10-13H2,1-4H3