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

Systemtic Name: [2-(4-propylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-pentoxy-benzoate Openeye Name: [2-(4-propylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxy-benzoate CAS Name: 2-fluoro-4-pentoxybenzoic acid [2-(4-propylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-propylphenyl)pyrimidin-5-yl] 2-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-2-fluoro-benzoic acid [2-(4-propylphenyl)pyrimidin-5-yl] ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCC)F

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCC)F

InChI

InChI=1S/C25H27FN2O3/c1-3-5-6-14-30-20-12-13-22(23(26)15-20)25(29)31-21-16-27-24(28-17-21)19-10-8-18(7-4-2)9-11-19/h8-13,15-17H,3-7,14H2,1-2H3