(4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid (4-bromobenzyl) ester Formula: C22H15BrN2O2 MolecularWeight: 419.2707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O2/c23-17-7-5-15(6-8-17)14-27-22(26)19-13-21(16-9-11-24-12-10-16)25-20-4-2-1-3-18(19)20/h1-13H,14H2