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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-bromo-2-(4-chlorophenyl)-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-cinchoninic acid [2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C28H23BrClNO4 MolecularWeight: 552.84352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23BrClNO4/c1-4-17-13-20(29)14-23-24(15-25(31-26(17)23)18-5-9-21(30)10-6-18)28(33)35-16(2)27(32)19-7-11-22(34-3)12-8-19/h5-16H,4H2,1-3H3