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

Systemtic Name: [2-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [2-fluoro-4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [2-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C28H39FN2O2 MolecularWeight: 454.619863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCC)F

InChI

InChI=1S/C28H39FN2O2/c1-3-5-6-7-8-9-11-22-19-30-27(31-20-22)24-16-17-26(25(29)18-24)33-28(32)23-14-12-21(10-4-2)13-15-23/h16-21,23H,3-15H2,1-2H3