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

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-4-quinolinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-chlorophenyl)-8-ethyl-3-methyl-cinchoninic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C28H22BrCl2NO3 MolecularWeight: 571.28918

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22BrCl2NO3/c1-4-17-13-20(29)14-23-24(15(2)25(32-26(17)23)18-5-9-21(30)10-6-18)28(34)35-16(3)27(33)19-7-11-22(31)12-8-19/h5-14,16H,4H2,1-3H3