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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-decylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C37H51FN2O2 MolecularWeight: 574.811443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCCCCCC)F

InChI

InChI=1S/C37H51FN2O2/c1-3-5-7-9-11-13-15-17-19-30-21-23-32(24-22-30)37(41)42-33-25-26-34(35(38)27-33)36-39-28-31(29-40-36)20-18-16-14-12-10-8-6-4-2/h21-29H,3-20H2,1-2H3