[4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C32H46N2O2 MolecularWeight: 490.71984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

InChI

InChI=1S/C32H46N2O2/c1-3-5-7-9-25-10-14-26(15-11-25)29-22-33-31(34-23-29)27-18-20-30(21-19-27)36-32(35)28-16-12-24(13-17-28)8-6-4-2/h18-26,28H,3-17H2,1-2H3