[4-(5-octylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-nonoxy-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-9-11-13-15-23-39-30-21-22-31(32(35)24-30)34(38)40-29-19-17-28(18-20-29)33-36-25-27(26-37-33)16-14-12-10-8-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3