[4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-methyldecanoate

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-methyldecanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] 2-methyldecanoate CAS Name: 2-methyldecanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]-2-fluorophenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluorophenyl] 2-methyldecanoate Traditional Name: 2-methylcapric acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] ester Formula: C37H51FN2O2 MolecularWeight: 574.811443

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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)C(C)CCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C37H51FN2O2/c1-4-6-8-10-12-13-15-17-19-30-20-22-31(23-21-30)33-27-39-36(40-28-33)32-24-25-35(34(38)26-32)42-37(41)29(3)18-16-14-11-9-7-5-2/h20-29H,4-19H2,1-3H3