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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-pentoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-pentoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-amoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C30H37FN2O3 MolecularWeight: 492.624783

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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)OCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H37FN2O3/c1-3-5-7-8-9-10-12-23-13-18-29(26(31)20-23)36-30(34)28-22-32-27(21-33-28)24-14-16-25(17-15-24)35-19-11-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3