(4-decylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-decylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-decylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 4-(5-decylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-decylphenyl) ester Formula: C37H51FN2O2 MolecularWeight: 574.811443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)F

InChI

InChI=1S/C37H51FN2O2/c1-3-5-7-9-11-13-15-17-19-30-21-24-33(25-22-30)42-37(41)32-23-26-34(35(38)27-32)36-39-28-31(29-40-36)20-18-16-14-12-10-8-6-4-2/h21-29H,3-20H2,1-2H3