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

Systemtic Name: butyl 4-[(6-bromanyl-8-methyl-2-phenyl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(6-bromo-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]benzoate CAS Name: 4-[[(6-bromo-8-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-bromo-8-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[(6-bromo-8-methyl-2-phenyl-quinoline-4-carbonyl)amino]benzoic acid butyl ester Formula: C28H25BrN2O3 MolecularWeight: 517.4137

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H25BrN2O3/c1-3-4-14-34-28(33)20-10-12-22(13-11-20)30-27(32)24-17-25(19-8-6-5-7-9-19)31-26-18(2)15-21(29)16-23(24)26/h5-13,15-17H,3-4,14H2,1-2H3,(H,30,32)