(4-cyano-4-heptyl-cyclohexyl) 4-ethoxybenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-ethoxybenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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