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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-hexoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoro-4-hexoxy-benzoate CAS Name: 2-fluoro-4-hexoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoro-4-hexoxybenzoate Traditional Name: 2-fluoro-4-hexoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

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