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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-methylcyclohexane-1-carboxylate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] 2-methylcyclohexanecarboxylate CAS Name: 2-methyl-1-cyclohexanecarboxylic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]-2-fluorophenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluorophenyl] 2-methylcyclohexane-1-carboxylate Traditional Name: 2-methylcyclohexanecarboxylic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] ester Formula: C34H43FN2O2 MolecularWeight: 530.715823

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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)C4CCCCC4C)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OC(=O)C4CCCCC4C)F

InChI

InChI=1S/C34H43FN2O2/c1-3-4-5-6-7-8-9-10-14-26-16-18-27(19-17-26)29-23-36-33(37-24-29)28-20-21-32(31(35)22-28)39-34(38)30-15-12-11-13-25(30)2/h16-25,30H,3-15H2,1-2H3