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

Systemtic Name: [3-fluoranyl-4-(5-heptylpyrimidin-2-yl)phenyl] 4-decylbenzoate Openeye Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [3-fluoro-4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [3-fluoro-4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

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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)CCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-10-11-13-14-16-27-18-20-29(21-19-27)34(38)39-30-22-23-31(32(35)24-30)33-36-25-28(26-37-33)17-15-12-8-6-4-2/h18-26H,3-17H2,1-2H3