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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-2-(4-bromophenyl)-8-ethyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 6-bromo-2-(4-bromophenyl)-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-bromophenyl)-8-ethyl-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-2-(4-bromophenyl)-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-bromophenyl)-8-ethyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C28H21Br2Cl2NO3 MolecularWeight: 650.18524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21Br2Cl2NO3/c1-2-16-13-20(30)14-22-23(15-24(33-26(16)22)17-3-7-19(29)8-4-17)28(35)36-25(11-12-31)27(34)18-5-9-21(32)10-6-18/h3-10,13-15,25H,2,11-12H2,1H3