(2-fluoranyl-4-octyl-phenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-hexoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-hexoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-hexoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-9-10-11-13-24-14-19-30(27(32)21-24)37-31(35)29-23-33-28(22-34-29)25-15-17-26(18-16-25)36-20-12-8-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3