[3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-decylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-decylbenzoate Openeye Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [3-fluoro-4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-10-11-12-14-15-26-17-19-28(20-18-26)33(37)38-29-21-22-30(31(34)23-29)32-35-24-27(25-36-32)16-13-8-6-4-2/h17-25H,3-16H2,1-2H3