[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C31H21BrFN3O4 MolecularWeight: 598.418543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C31H21BrFN3O4/c32-20-14-15-27(24(33)16-20)35-29(37)18-40-31(39)22-11-5-7-13-26(22)36-30(38)23-17-28(19-8-2-1-3-9-19)34-25-12-6-4-10-21(23)25/h1-17H,18H2,(H,35,37)(H,36,38)