[4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluoro-4-heptoxy-benzoate CAS Name: 2-fluoro-4-heptoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-fluoro-4-heptoxybenzoate Traditional Name: 2-fluoro-4-heptoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-9-11-13-24-22-33-30(34-23-24)25-14-16-26(17-15-25)37-31(35)28-19-18-27(21-29(28)32)36-20-12-10-8-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3