[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-benzoylpropyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylic acid [(2R)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylbutan-2-yl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)cinchoninic acid [(1R)-1-benzoylpropyl] ester Formula: C26H19BrClNO3 MolecularWeight: 508.79096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H19BrClNO3/c1-2-24(25(30)17-6-4-3-5-7-17)32-26(31)21-15-23(16-8-11-19(28)12-9-16)29-22-13-10-18(27)14-20(21)22/h3-15,24H,2H2,1H3/t24-/m1/s1