(4-butoxyphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (4-butoxyphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-butoxyphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-butoxyphenyl) ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCCC)C#N

InChI

InChI=1S/C23H33NO3/c1-3-5-7-14-23(18-24)15-12-19(13-16-23)22(25)27-21-10-8-20(9-11-21)26-17-6-4-2/h8-11,19H,3-7,12-17H2,1-2H3