[2-(4-heptylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoranyl-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluoro-benzoate CAS Name: 4-decoxy-2-fluorobenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 4-decoxy-2-fluorobenzoate Traditional Name: 4-decoxy-2-fluoro-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-9-10-11-13-15-23-39-29-21-22-31(32(35)24-29)34(38)40-30-25-36-33(37-26-30)28-19-17-27(18-20-28)16-14-12-8-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3