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

Systemtic Name: (2-fluoranyl-4-nonyl-phenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-nonyl-phenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-nonylphenyl) ester IUPAC Name: (2-fluoro-4-nonylphenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butylphenyl)pyrazinic acid (2-fluoro-4-nonyl-phenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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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)CCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-8-9-10-11-13-24-16-19-29(26(31)20-24)35-30(34)28-22-32-27(21-33-28)25-17-14-23(15-18-25)12-6-4-2/h14-22H,3-13H2,1-2H3