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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-3-fluoranyl-phenyl] 2,6-dimethylheptanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-3-fluoro-phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]-3-fluorophenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]-3-fluorophenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]-3-fluoro-phenyl] ester Formula: C35H47FN2O2 MolecularWeight: 546.758283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H47FN2O2/c1-5-6-7-8-9-10-11-12-16-28-17-19-29(20-18-28)30-24-37-34(38-25-30)32-22-21-31(23-33(32)36)40-35(39)27(4)15-13-14-26(2)3/h17-27H,5-16H2,1-4H3