[4-(3-octyl-4H-pyrimidin-2-yl)phenyl] 4-(2-fluoranyldecoxy)benzoate

Systemtic Name: [4-(3-octyl-4H-pyrimidin-2-yl)phenyl] 4-(2-fluoranyldecoxy)benzoate Openeye Name: [4-(3-octyl-4H-pyrimidin-2-yl)phenyl] 4-(2-fluorodecoxy)benzoate CAS Name: 4-(2-fluorodecoxy)benzoic acid [4-(3-octyl-4H-pyrimidin-2-yl)phenyl] ester IUPAC Name: [4-(3-octyl-4H-pyrimidin-2-yl)phenyl] 4-(2-fluorodecoxy)benzoate Traditional Name: 4-(2-fluorodecoxy)benzoic acid [4-(3-octyl-4H-pyrimidin-2-yl)phenyl] ester Formula: C35H49FN2O3 MolecularWeight: 564.773563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CCN3CCCCCCCC)F

Isomeric SMILES

CCCCCCCCC(COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CCN3CCCCCCCC)F

InChI

InChI=1S/C35H49FN2O3/c1-3-5-7-9-11-13-16-31(36)28-40-32-21-19-30(20-22-32)35(39)41-33-23-17-29(18-24-33)34-37-25-15-27-38(34)26-14-12-10-8-6-4-2/h15,17-25,31H,3-14,16,26-28H2,1-2H3