[4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-[4-(4-cyano-4-octylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-cyano-4-octylcyclohexyl)phenyl]phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]phenyl] ester Formula: C32H42ClNO2 MolecularWeight: 508.13438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C32H42ClNO2/c1-4-5-6-7-8-9-20-32(23-34)21-18-28(19-22-32)26-12-10-25(11-13-26)27-14-16-29(17-15-27)36-31(35)30(33)24(2)3/h10-17,24,28,30H,4-9,18-22H2,1-3H3