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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 6-bromo-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C29H24BrCl2NO3 MolecularWeight: 585.31576

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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(CCCl)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(CCCl)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H24BrCl2NO3/c1-3-18-15-21(30)16-23-25(17(2)26(33-27(18)23)19-7-5-4-6-8-19)29(35)36-24(13-14-31)28(34)20-9-11-22(32)12-10-20/h4-12,15-16,24H,3,13-14H2,1-2H3