[(1R)-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [(1R)-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl] 6-bromanyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-2-ethoxy-2-oxo-1-phenyl-ethyl] 6-bromo-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methylphenyl)-4-quinolinecarboxylic acid [(1R)-2-ethoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-ethoxy-2-oxo-1-phenylethyl] 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(p-tolyl)cinchoninic acid [(1R)-2-ethoxy-2-keto-1-phenyl-ethyl] ester Formula: C27H22BrNO4 MolecularWeight: 504.37188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO4/c1-3-32-27(31)25(19-7-5-4-6-8-19)33-26(30)22-16-24(18-11-9-17(2)10-12-18)29-23-14-13-20(28)15-21(22)23/h4-16,25H,3H2,1-2H3/t25-/m1/s1