[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-benzoylpropyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylbutan-2-yl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [(1R)-1-benzoylpropyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrNO3/c1-3-24(26(30)19-12-8-5-9-13-19)32-27(31)22-16-23(18-10-6-4-7-11-18)29-25-17(2)14-20(28)15-21(22)25/h4-16,24H,3H2,1-2H3/t24-/m1/s1