[4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 2-(4-bromophenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-7,8-dimethyl-4-quinolinecarboxylic acid [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] 2-(4-bromophenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-7,8-dimethyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C28H22BrCl2NO3 MolecularWeight: 571.28918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C28H22BrCl2NO3/c1-16-3-12-22-23(15-24(32-26(22)17(16)2)18-4-8-20(29)9-5-18)28(34)35-25(13-14-30)27(33)19-6-10-21(31)11-7-19/h3-12,15,25H,13-14H2,1-2H3