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

Systemtic Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [2-(4-decylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [2-(4-decylphenyl)pyrimidin-5-yl] ester Formula: C36H49FN2O3 MolecularWeight: 576.784263

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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)OCCCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C36H49FN2O3/c1-3-5-7-9-11-12-14-16-18-29-19-21-30(22-20-29)35-38-27-32(28-39-35)42-36(40)33-24-23-31(26-34(33)37)41-25-17-15-13-10-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3