[4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-2-fluoranyl-phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-(5-decyl-2-pyrimidinyl)-2-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-2-fluorophenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(5-decylpyrimidin-2-yl)-2-fluoro-phenyl] ester Formula: C30H43FN2O2 MolecularWeight: 482.673023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

InChI

InChI=1S/C30H43FN2O2/c1-3-5-6-7-8-9-10-11-13-24-21-32-29(33-22-24)26-18-19-28(27(31)20-26)35-30(34)25-16-14-23(12-4-2)15-17-25/h18-23,25H,3-17H2,1-2H3