[2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

InChI

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