(4-bromophenyl) 3-[4-(4-bromanylphenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate

Systemtic Name: (4-bromophenyl) 3-[4-(4-bromanylphenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate Openeye Name: (4-bromophenyl) 3-[4-(4-bromophenoxy)carbonyl-3-quinolyl]quinoline-4-carboxylate CAS Name: 3-[4-[(4-bromophenoxy)-oxomethyl]-3-quinolinyl]-4-quinolinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-[4-(4-bromophenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate Traditional Name: 3-[4-(4-bromophenoxy)carbonyl-3-quinolyl]cinchoninic acid (4-bromophenyl) ester Formula: C32H18Br2N2O4 MolecularWeight: 654.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)OC5=CC=C(C=C5)Br)C(=O)OC6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)OC5=CC=C(C=C5)Br)C(=O)OC6=CC=C(C=C6)Br

InChI

InChI=1S/C32H18Br2N2O4/c33-19-9-13-21(14-10-19)39-31(37)29-23-5-1-3-7-27(23)35-17-25(29)26-18-36-28-8-4-2-6-24(28)30(26)32(38)40-22-15-11-20(34)12-16-22/h1-18H