[4-[4-(3-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-methyldecanoate

Systemtic Name: [4-[4-(3-decylphenyl)pyrimidin-2-yl]-2-fluoranyl-phenyl] 2-methyldecanoate Openeye Name: [4-[4-(3-decylphenyl)pyrimidin-2-yl]-2-fluoro-phenyl] 2-methyldecanoate CAS Name: 2-methyldecanoic acid [4-[4-(3-decylphenyl)-2-pyrimidinyl]-2-fluorophenyl] ester IUPAC Name: [4-[4-(3-decylphenyl)pyrimidin-2-yl]-2-fluorophenyl] 2-methyldecanoate Traditional Name: 2-methylcapric acid [4-[4-(3-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=CC(=C1)C2=NC(=NC=C2)C3=CC(=C(C=C3)OC(=O)C(C)CCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C37H51FN2O2/c1-4-6-8-10-12-13-15-17-20-30-21-18-22-31(27-30)34-25-26-39-36(40-34)32-23-24-35(33(38)28-32)42-37(41)29(3)19-16-14-11-9-7-5-2/h18,21-29H,4-17,19-20H2,1-3H3