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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-propoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-propoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C28H33FN2O3 MolecularWeight: 464.571623

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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)OCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O3/c1-3-5-6-7-8-9-10-21-11-16-27(24(29)18-21)34-28(32)26-20-30-25(19-31-26)22-12-14-23(15-13-22)33-17-4-2/h11-16,18-20H,3-10,17H2,1-2H3