[2-(4-decylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [2-(4-decylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [2-(4-decylphenyl)pyrimidin-5-yl] ester Formula: C37H51FN2O3 MolecularWeight: 590.810843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCCCC)F

InChI

InChI=1S/C37H51FN2O3/c1-3-5-7-9-11-13-15-17-19-30-20-22-31(23-21-30)36-39-28-33(29-40-36)43-37(41)34-25-24-32(27-35(34)38)42-26-18-16-14-12-10-8-6-4-2/h20-25,27-29H,3-19,26H2,1-2H3