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

Systemtic Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-decylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-decylphenyl)pyrimidin-5-yl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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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)OCCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C35H47FN2O3/c1-3-5-7-9-11-12-13-15-17-28-18-20-29(21-19-28)34-37-26-31(27-38-34)41-35(39)32-23-22-30(25-33(32)36)40-24-16-14-10-8-6-4-2/h18-23,25-27H,3-17,24H2,1-2H3