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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C29H35FN2O3 MolecularWeight: 478.598203

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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)OCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C29H35FN2O3/c1-3-5-7-8-9-10-11-22-12-17-28(25(30)19-22)35-29(33)27-21-31-26(20-32-27)23-13-15-24(16-14-23)34-18-6-4-2/h12-17,19-21H,3-11,18H2,1-2H3