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

Systemtic Name: [4-chloranyl-1-(4-chlorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-chlorobenzoyl)propyl] 2-(4-benzyloxyphenyl)-6-bromo-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-(4-phenylmethoxyphenyl)-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-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-8-methyl-cinchoninic acid [3-chloro-1-(4-chlorobenzoyl)propyl] ester Formula: C34H26BrCl2NO4 MolecularWeight: 663.38454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C34H26BrCl2NO4/c1-21-17-25(35)18-28-29(34(40)42-31(15-16-36)33(39)24-7-11-26(37)12-8-24)19-30(38-32(21)28)23-9-13-27(14-10-23)41-20-22-5-3-2-4-6-22/h2-14,17-19,31H,15-16,20H2,1H3