[4-(5-decylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-8-9-10-11-12-13-24-22-33-30(34-23-24)25-14-16-26(17-15-25)37-31(35)28-19-18-27(21-29(28)32)36-20-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3