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

Systemtic Name:	[3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate
Openeye Name:	[3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate
CAS Name:	4-decylbenzoic acid [3-fluoro-4-(5-octyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:	[3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate
Traditional Name:	4-decylbenzoic acid [3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] ester
Formula:	C₃₅H₄₇FN₂O₂
MolecularWeight:	546.758283

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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)CCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-15-17-28-19-21-30(22-20-28)35(39)40-31-23-24-32(33(36)25-31)34-37-26-29(27-38-34)18-16-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3

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