[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-bromo-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C28H23BrClNO3 MolecularWeight: 536.84412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OC(C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H23BrClNO3/c1-4-18-14-21(29)15-23-24(16(2)25(31-26(18)23)19-8-6-5-7-9-19)28(33)34-17(3)27(32)20-10-12-22(30)13-11-20/h5-15,17H,4H2,1-3H3