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

Systemtic Name: butyl 4-[[6-bromanyl-8-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[6-bromo-8-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[6-bromo-8-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-bromo-8-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[6-bromo-8-methyl-2-(p-tolyl)quinoline-4-carbonyl]amino]benzoic acid butyl ester Formula: C29H27BrN2O3 MolecularWeight: 531.44028

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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)C

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)C

InChI

InChI=1S/C29H27BrN2O3/c1-4-5-14-35-29(34)21-10-12-23(13-11-21)31-28(33)25-17-26(20-8-6-18(2)7-9-20)32-27-19(3)15-22(30)16-24(25)27/h6-13,15-17H,4-5,14H2,1-3H3,(H,31,33)