[2-fluoranyl-4-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-fluoranyl-4-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-fluoro-4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-fluoro-4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C33H49FN2O2 MolecularWeight: 524.752763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

InChI

InChI=1S/C33H49FN2O2/c1-3-5-7-8-9-10-11-12-14-16-27-24-35-32(36-25-27)29-21-22-31(30(34)23-29)38-33(37)28-19-17-26(18-20-28)15-13-6-4-2/h21-26,28H,3-20H2,1-2H3