butyl 4-[[6-bromanyl-2-(4-chlorophenyl)-8-methyl-quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[6-bromanyl-2-(4-chlorophenyl)-8-methyl-quinolin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[6-bromo-2-(4-chlorophenyl)-8-methyl-quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[6-bromo-2-(4-chlorophenyl)-8-methyl-4-quinolinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-bromo-2-(4-chlorophenyl)-8-methylquinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[6-bromo-2-(4-chlorophenyl)-8-methyl-quinoline-4-carbonyl]amino]benzoic acid butyl ester Formula: C28H24BrClN2O3 MolecularWeight: 551.85876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H24BrClN2O3/c1-3-4-13-35-28(34)19-7-11-22(12-8-19)31-27(33)24-16-25(18-5-9-21(30)10-6-18)32-26-17(2)14-20(29)15-23(24)26/h5-12,14-16H,3-4,13H2,1-2H3,(H,31,33)