[4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-pentylbenzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-pentylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C32H41FN2O2 MolecularWeight: 504.678543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41FN2O2/c1-3-5-7-8-9-10-11-13-15-26-23-34-31(35-24-26)29-21-20-28(22-30(29)33)37-32(36)27-18-16-25(17-19-27)14-12-6-4-2/h16-24H,3-15H2,1-2H3