(2-fluoranyl-4-nonyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate

Systemtic Name: (2-fluoranyl-4-nonyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-nonyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-nonylphenyl) ester IUPAC Name: (2-fluoro-4-nonylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octylphenyl)pyrazinic acid (2-fluoro-4-nonyl-phenyl) ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-11-13-15-17-28-20-23-33(30(35)24-28)39-34(38)32-26-36-31(25-37-32)29-21-18-27(19-22-29)16-14-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3