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

Systemtic Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-ethylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C29H40N2O2 MolecularWeight: 448.6401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CC

InChI

InChI=1S/C29H40N2O2/c1-3-5-6-22-9-13-25(14-10-22)29(32)33-27-17-15-24(16-18-27)28-30-19-26(20-31-28)23-11-7-21(4-2)8-12-23/h15-23,25H,3-14H2,1-2H3