(4-cyanocyclohexyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (4-cyanocyclohexyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyanocyclohexyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)-1-cyclohexanecarboxylic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-(5-pentyl-1,3,2-dioxaborinan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3,2-dioxaborinan-2-yl)cyclohexanecarboxylic acid (4-cyanocyclohexyl) ester Formula: C22H36BNO4 MolecularWeight: 389.33654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCCCC)C2CCC(CC2)C(=O)OC3CCC(CC3)C#N

Isomeric SMILES

B1(OCC(CO1)CCCCC)C2CCC(CC2)C(=O)OC3CCC(CC3)C#N

InChI

InChI=1S/C22H36BNO4/c1-2-3-4-5-18-15-26-23(27-16-18)20-10-8-19(9-11-20)22(25)28-21-12-6-17(14-24)7-13-21/h17-21H,2-13,15-16H2,1H3