(4-decyl-2-fluoranyl-phenyl) 5-(4-hexylphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-decyl-2-fluoranyl-phenyl) 5-(4-hexylphenyl)pyrazine-2-carboxylate Openeye Name: (4-decyl-2-fluoro-phenyl) 5-(4-hexylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-hexylphenyl)-2-pyrazinecarboxylic acid (4-decyl-2-fluorophenyl) ester IUPAC Name: (4-decyl-2-fluorophenyl) 5-(4-hexylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-hexylphenyl)pyrazinic acid (4-decyl-2-fluoro-phenyl) ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-10-11-12-14-16-27-19-22-32(29(34)23-27)38-33(37)31-25-35-30(24-36-31)28-20-17-26(18-21-28)15-13-8-6-4-2/h17-25H,3-16H2,1-2H3