(4-ethoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: (4-ethoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-ethoxyphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid p-phenetyl ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC)C#N

InChI

InChI=1S/C23H33NO3/c1-3-5-6-7-8-15-23(18-24)16-13-19(14-17-23)22(25)27-21-11-9-20(10-12-21)26-4-2/h9-12,19H,3-8,13-17H2,1-2H3