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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCC)F

InChI

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