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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-butylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] 2-butylcyclohexanecarboxylate CAS Name: 2-butyl-1-cyclohexanecarboxylic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]-2-fluorophenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluorophenyl] 2-butylcyclohexane-1-carboxylate Traditional Name: 2-butylcyclohexanecarboxylic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] ester Formula: C37H49FN2O2 MolecularWeight: 572.795563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C4CCCCC4CCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C4CCCCC4CCCC)F

InChI

InChI=1S/C37H49FN2O2/c1-3-5-7-8-9-10-11-12-15-28-19-21-29(22-20-28)32-26-39-36(40-27-32)31-23-24-35(34(38)25-31)42-37(41)33-18-14-13-17-30(33)16-6-4-2/h19-27,30,33H,3-18H2,1-2H3