(4-propoxyphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: (4-propoxyphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-propoxyphenyl) 4-cyano-4-propyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-propyl-1-cyclohexanecarboxylic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-cyano-4-propylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-propyl-cyclohexanecarboxylic acid (4-propoxyphenyl) ester Formula: C20H27NO3 MolecularWeight: 329.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

InChI

InChI=1S/C20H27NO3/c1-3-11-20(15-21)12-9-16(10-13-20)19(22)24-18-7-5-17(6-8-18)23-14-4-2/h5-8,16H,3-4,9-14H2,1-2H3