[2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxy-benzoate CAS Name: 2-fluoro-4-pentoxybenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-2-fluoro-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCC)F

InChI

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