[4-(5-nonylpyrimidin-2-yl)phenyl] 4-cyano-4-(2-methylbutyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-cyano-4-(2-methylbutyl)cyclohexane-1-carboxylate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-cyano-4-(2-methylbutyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(2-methylbutyl)-1-cyclohexanecarboxylic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-cyano-4-(2-methylbutyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(2-methylbutyl)cyclohexanecarboxylic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C32H45N3O2 MolecularWeight: 503.7186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C32H45N3O2/c1-4-6-7-8-9-10-11-12-26-22-34-30(35-23-26)27-13-15-29(16-14-27)37-31(36)28-17-19-32(24-33,20-18-28)21-25(3)5-2/h13-16,22-23,25,28H,4-12,17-21H2,1-3H3