7-[4-[4-(1-cyano-4-propyl-cyclohexyl)phenyl]phenyl]heptyl ethanoate

Systemtic Name: 7-[4-[4-(1-cyano-4-propyl-cyclohexyl)phenyl]phenyl]heptyl ethanoate Openeye Name: 7-[4-[4-(1-cyano-4-propyl-cyclohexyl)phenyl]phenyl]heptyl acetate CAS Name: acetic acid 7-[4-[4-(1-cyano-4-propylcyclohexyl)phenyl]phenyl]heptyl ester IUPAC Name: 7-[4-[4-(1-cyano-4-propylcyclohexyl)phenyl]phenyl]heptyl acetate Traditional Name: acetic acid 7-[4-[4-(1-cyano-4-propyl-cyclohexyl)phenyl]phenyl]heptyl ester Formula: C31H41NO2 MolecularWeight: 459.66274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)(C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCOC(=O)C

Isomeric SMILES

CCCC1CCC(CC1)(C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCOC(=O)C

InChI

InChI=1S/C31H41NO2/c1-3-9-26-19-21-31(24-32,22-20-26)30-17-15-29(16-18-30)28-13-11-27(12-14-28)10-7-5-4-6-8-23-34-25(2)33/h11-18,26H,3-10,19-23H2,1-2H3