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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)-3-fluoranyl-phenyl] 4-heptylbenzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(5-decyl-2-pyrimidinyl)-3-fluorophenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)-3-fluorophenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(5-decylpyrimidin-2-yl)-3-fluoro-phenyl] ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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