(4-fluorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-fluorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-fluorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid (4-fluorobenzyl) ester Formula: C23H15BrFNO2 MolecularWeight: 436.273103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15BrFNO2/c24-17-5-3-4-16(12-17)22-13-20(19-6-1-2-7-21(19)26-22)23(27)28-14-15-8-10-18(25)11-9-15/h1-13H,14H2