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

Systemtic Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C31H44N2O2 MolecularWeight: 476.69326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

Isomeric SMILES

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC

InChI

InChI=1S/C31H44N2O2/c1-3-5-7-23-9-13-25(14-10-23)28-21-32-30(33-22-28)26-17-19-29(20-18-26)35-31(34)27-15-11-24(12-16-27)8-6-4-2/h17-25,27H,3-16H2,1-2H3