[3-[2-(4-butoxyphenyl)pyrimidin-4-yl]phenyl] 2-fluoranyl-2-methyl-pentanoate

Systemtic Name: [3-[2-(4-butoxyphenyl)pyrimidin-4-yl]phenyl] 2-fluoranyl-2-methyl-pentanoate Openeye Name: [3-[2-(4-butoxyphenyl)pyrimidin-4-yl]phenyl] 2-fluoro-2-methyl-pentanoate CAS Name: 2-fluoro-2-methylpentanoic acid [3-[2-(4-butoxyphenyl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [3-[2-(4-butoxyphenyl)pyrimidin-4-yl]phenyl] 2-fluoro-2-methylpentanoate Traditional Name: 2-fluoro-2-methyl-valeric acid [3-[2-(4-butoxyphenyl)pyrimidin-4-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=CC(=N2)C3=CC(=CC=C3)OC(=O)C(C)(CCC)F

Isomeric SMILES

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

InChI

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