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

Systemtic Name: (4-methoxyphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-methoxyphenyl) ester Formula: C20H27NO3 MolecularWeight: 329.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-3-4-5-12-20(15-21)13-10-16(11-14-20)19(22)24-18-8-6-17(23-2)7-9-18/h6-9,16H,3-5,10-14H2,1-2H3