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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-heptoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-heptoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-heptoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C32H41FN2O3 MolecularWeight: 520.677943

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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)OCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C32H41FN2O3/c1-3-5-7-9-10-12-14-25-15-20-31(28(33)22-25)38-32(36)30-24-34-29(23-35-30)26-16-18-27(19-17-26)37-21-13-11-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3