[4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-(4-pentylcyclohexyl)benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-(4-pentylcyclohexyl)benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoro-4-(4-pentylcyclohexyl)benzoate CAS Name: 3-fluoro-4-(4-pentylcyclohexyl)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoro-4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)-3-fluoro-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C37H49FN2O2 MolecularWeight: 572.795563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCC)F

InChI

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