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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 6-bromo-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-chlorophenyl)-3-methyl-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-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-chlorophenyl)-3-methyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C27H19BrCl3NO3 MolecularWeight: 591.70766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)Br)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OC(CCCl)C(=O)C3=CC=C(C=C3)Cl)Br)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H19BrCl3NO3/c1-15-24(27(34)35-23(11-12-29)26(33)16-5-8-19(30)9-6-16)21-14-18(28)7-10-22(21)32-25(15)17-3-2-4-20(31)13-17/h2-10,13-14,23H,11-12H2,1H3