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

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(4-chlorophenyl)-8-ethyl-quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-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-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-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-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H20BrCl2NO3 MolecularWeight: 557.2626

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H20BrCl2NO3/c1-3-16-11-19(28)13-22-23(14-24(31-25(16)22)17-7-9-20(29)10-8-17)27(33)34-15(2)26(32)18-5-4-6-21(30)12-18/h4-15H,3H2,1-2H3