(1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 6-bromanyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 6-bromo-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 6-bromo-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-phenyl-cinchoninic acid 1-benzoylpropyl ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24BrNO3/c1-4-23(27(31)20-13-9-6-10-14-20)33-28(32)24-18(3)26(19-11-7-5-8-12-19)30-25-17(2)15-21(29)16-22(24)25/h5-16,23H,4H2,1-3H3