diethyl 2-[(4-cyanophenyl)-cyclohexyl-methyl]propanedioate

Systemtic Name: diethyl 2-[(4-cyanophenyl)-cyclohexyl-methyl]propanedioate Openeye Name: diethyl 2-[(4-cyanophenyl)-cyclohexyl-methyl]propanedioate CAS Name: 2-[(4-cyanophenyl)-cyclohexylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-cyanophenyl)-cyclohexylmethyl]propanedioate Traditional Name: 2-[(4-cyanophenyl)-cyclohexyl-methyl]malonic acid diethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1CCCCC1)C2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1CCCCC1)C2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C21H27NO4/c1-3-25-20(23)19(21(24)26-4-2)18(16-8-6-5-7-9-16)17-12-10-15(14-22)11-13-17/h10-13,16,18-19H,3-9H2,1-2H3