[4-[5-(2-fluoranyldecoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate

Systemtic Name: [4-[5-(2-fluoranyldecoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate Openeye Name: [4-[5-(2-fluorodecoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [4-[5-(2-fluorodecoxy)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(2-fluorodecoxy)pyrimidin-2-yl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [4-[5-(2-fluorodecoxy)pyrimidin-2-yl]phenyl] ester Formula: C28H41FN2O3 MolecularWeight: 472.635143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCCCC)F

Isomeric SMILES

CCCCCCCCC(COC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)CCCCC)F

InChI

InChI=1S/C28H41FN2O3/c1-4-6-8-9-10-12-14-24(29)21-33-26-19-30-27(31-20-26)23-15-17-25(18-16-23)34-28(32)22(3)13-11-7-5-2/h15-20,22,24H,4-14,21H2,1-3H3