2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]quinoxaline-6-carboxylate

Systemtic Name: 2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]quinoxaline-6-carboxylate Openeye Name: 2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]quinoxaline-6-carboxylate CAS Name: 2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]-6-quinoxalinecarboxylate IUPAC Name: 2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]quinoxaline-6-carboxylate Traditional Name: 2,3-bis[4-[2-(4-fluorophenyl)ethynyl]phenyl]quinoxaline-6-carboxylate Formula: C37H19F2N2O2- MolecularWeight: 561.555766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)C3=NC4=C(C=C(C=C4)C(=O)[O-])N=C3C5=CC=C(C=C5)C#CC6=CC=C(C=C6)F

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)F)C3=NC4=C(C=C(C=C4)C(=O)[O-])N=C3C5=CC=C(C=C5)C#CC6=CC=C(C=C6)F

InChI

InChI=1S/C37H20F2N2O2/c38-31-18-9-26(10-19-31)3-1-24-5-13-28(14-6-24)35-36(41-34-23-30(37(42)43)17-22-33(34)40-35)29-15-7-25(8-16-29)2-4-27-11-20-32(39)21-12-27/h5-23H,(H,42,43)/p-1