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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

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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)OCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O3/c1-3-5-7-8-9-10-21-19-30-27(31-20-21)22-11-13-23(14-12-22)34-28(32)25-16-15-24(18-26(25)29)33-17-6-4-2/h11-16,18-20H,3-10,17H2,1-2H3