[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-butan-2-yl] 6-bromanyl-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-benzoylpropyl] 6-bromo-2-(3-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-phenylbutan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylbutan-2-yl] 6-bromo-2-(3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-8-methyl-cinchoninic acid [(1R)-1-benzoylpropyl] ester Formula: C28H24BrNO4 MolecularWeight: 518.39846

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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)OC

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)OC

InChI

InChI=1S/C28H24BrNO4/c1-4-25(27(31)18-9-6-5-7-10-18)34-28(32)23-16-24(19-11-8-12-21(14-19)33-3)30-26-17(2)13-20(29)15-22(23)26/h5-16,25H,4H2,1-3H3/t25-/m1/s1