[2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-heptoxy-benzoate Openeye Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptoxy-benzoate CAS Name: 2-fluoro-4-heptoxybenzoic acid [2-(4-pentylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-pentylphenyl)pyrimidin-5-yl] 2-fluoro-4-heptoxybenzoate Traditional Name: 2-fluoro-4-heptoxy-benzoic acid [2-(4-amylphenyl)pyrimidin-5-yl] ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

InChI

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