[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 3-fluoranyl-2-methyl-hexanoate

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 3-fluoranyl-2-methyl-hexanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 3-fluoro-2-methyl-hexanoate CAS Name: 3-fluoro-2-methylhexanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 3-fluoro-2-methylhexanoate Traditional Name: 3-fluoro-2-methyl-hexanoic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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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)C(CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C33H43FN2O2/c1-4-6-7-8-9-10-11-12-14-26-15-17-27(18-16-26)29-23-35-32(36-24-29)28-19-21-30(22-20-28)38-33(37)25(3)31(34)13-5-2/h15-25,31H,4-14H2,1-3H3