[4-[5-(4-decoxy-3-fluoranyl-phenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate

Systemtic Name: [4-[5-(4-decoxy-3-fluoranyl-phenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decoxy-3-fluoro-phenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decoxy-3-fluorophenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decoxy-3-fluorophenyl)pyrimidin-2-yl]phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decoxy-3-fluoro-phenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C)F

InChI

InChI=1S/C35H47FN2O3/c1-5-6-7-8-9-10-11-12-22-40-33-21-18-29(23-32(33)36)30-24-37-34(38-25-30)28-16-19-31(20-17-28)41-35(39)27(4)15-13-14-26(2)3/h16-21,23-27H,5-15,22H2,1-4H3