[4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

InChI

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