[4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-pentanoate

Systemtic Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoranyl-2-methyl-pentanoate Openeye Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methyl-pentanoate CAS Name: 2-fluoro-2-methylpentanoic acid [4-[2-(4-butoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] 2-fluoro-2-methylpentanoate Traditional Name: 2-fluoro-2-methyl-valeric acid [4-[2-(4-butoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)(CCC)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C(C)(CCC)F

InChI

InChI=1S/C26H29FN2O3/c1-4-6-16-31-22-11-9-20(10-12-22)24-28-17-21(18-29-24)19-7-13-23(14-8-19)32-25(30)26(3,27)15-5-2/h7-14,17-18H,4-6,15-16H2,1-3H3