[4-(5-pentylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-fluoro-4-heptoxy-benzoate CAS Name: 3-fluoro-4-heptoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-fluoro-4-heptoxybenzoate Traditional Name: 3-fluoro-4-heptoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

InChI=1S/C29H35FN2O3/c1-3-5-7-8-10-18-34-27-17-14-24(19-26(27)30)29(33)35-25-15-12-23(13-16-25)28-31-20-22(21-32-28)11-9-6-4-2/h12-17,19-21H,3-11,18H2,1-2H3