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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

InChI

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