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[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-octylbenzoate

Systemtic Name:	[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-octylbenzoate
Openeye Name:	[3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-octylbenzoate
CAS Name:	4-octylbenzoic acid [3-fluoro-4-(5-nonyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:	[3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-octylbenzoate
Traditional Name:	4-octylbenzoic acid [3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] ester
Formula:	C₃₄H₄₅FN₂O₂
MolecularWeight:	532.731703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-11-13-15-17-28-25-36-33(37-26-28)31-23-22-30(24-32(31)35)39-34(38)29-20-18-27(19-21-29)16-14-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3

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