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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-8-9-10-12-20-36-27-18-19-28(29(32)21-27)31(35)37-26-16-14-25(15-17-26)30-33-22-24(23-34-30)13-11-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3