[4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-heptanoate

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-heptanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H37FN2O3 MolecularWeight: 492.624783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F

InChI

InChI=1S/C30H37FN2O3/c1-4-6-8-10-20-35-26-15-13-24(14-16-26)28-32-21-25(22-33-28)23-11-17-27(18-12-23)36-29(34)30(3,31)19-9-7-5-2/h11-18,21-22H,4-10,19-20H2,1-3H3