(4-cyanocyclohexyl) 4-[4-(2-methylbutyl)phenyl]benzoate

Systemtic Name: (4-cyanocyclohexyl) 4-[4-(2-methylbutyl)phenyl]benzoate Openeye Name: (4-cyanocyclohexyl) 4-[4-(2-methylbutyl)phenyl]benzoate CAS Name: 4-[4-(2-methylbutyl)phenyl]benzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-[4-(2-methylbutyl)phenyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)phenyl]benzoic acid (4-cyanocyclohexyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C25H29NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-5,8-13,18,20,24H,3,6-7,14-16H2,1-2H3