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

Systemtic Name: (2-fluoranyl-4-nonyl-phenyl) 5-(4-propylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-nonyl-phenyl) 5-(4-propylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-propylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-nonylphenyl) ester IUPAC Name: (2-fluoro-4-nonylphenyl) 5-(4-propylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-propylphenyl)pyrazinic acid (2-fluoro-4-nonyl-phenyl) ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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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)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C29H35FN2O2/c1-3-5-6-7-8-9-10-12-23-15-18-28(25(30)19-23)34-29(33)27-21-31-26(20-32-27)24-16-13-22(11-4-2)14-17-24/h13-21H,3-12H2,1-2H3