(4-quinoxalin-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (4-quinoxalin-2-ylphenyl) ester Formula: C30H18BrN3O2 MolecularWeight: 532.38682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C30H18BrN3O2/c31-21-13-9-19(10-14-21)28-17-24(23-5-1-2-6-25(23)33-28)30(35)36-22-15-11-20(12-16-22)29-18-32-26-7-3-4-8-27(26)34-29/h1-18H