[4-(5-hexylpyrimidin-2-yl)phenyl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C33H43FN2O3 MolecularWeight: 534.704523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C33H43FN2O3/c1-3-5-7-9-10-11-12-14-22-38-29-20-21-30(31(34)23-29)33(37)39-28-18-16-27(17-19-28)32-35-24-26(25-36-32)15-13-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3