(2-bromophenyl) 3-[4-(2-bromanylphenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate

Systemtic Name: (2-bromophenyl) 3-[4-(2-bromanylphenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate Openeye Name: (2-bromophenyl) 3-[4-(2-bromophenoxy)carbonyl-3-quinolyl]quinoline-4-carboxylate CAS Name: 3-[4-[(2-bromophenoxy)-oxomethyl]-3-quinolinyl]-4-quinolinecarboxylic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 3-[4-(2-bromophenoxy)carbonylquinolin-3-yl]quinoline-4-carboxylate Traditional Name: 3-[4-(2-bromophenoxy)carbonyl-3-quinolyl]cinchoninic acid (2-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=CC=C5Br)C(=O)OC6=CC=CC=C6Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)OC5=CC=CC=C5Br)C(=O)OC6=CC=CC=C6Br

InChI

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