[4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-heptyl-benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-heptyl-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoro-4-heptyl-benzoate CAS Name: 3-fluoro-4-heptylbenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-fluoro-4-heptylbenzoate Traditional Name: 3-fluoro-4-heptyl-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-10-12-13-15-26-24-35-32(36-25-26)28-19-21-30(22-20-28)38-33(37)29-18-17-27(31(34)23-29)16-14-11-8-6-4-2/h17-25H,3-16H2,1-2H3