diethyl 2-[2-[3-bromanyl-5-(dimethylcarbamoyl)-2-fluoranyl-4-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoyloxymethyl]-2-phenyl-propanedioate

Systemtic Name: diethyl 2-[2-[3-bromanyl-5-(dimethylcarbamoyl)-2-fluoranyl-4-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoyloxymethyl]-2-phenyl-propanedioate Openeye Name: diethyl 2-[[2-[3-bromo-5-(dimethylcarbamoyl)-2-fluoro-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]-2-phenyl-propanedioate CAS Name: 2-[[2-[3-bromo-5-[dimethylamino(oxo)methyl]-2-fluoro-4-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]phenyl]-1-oxoethoxy]methyl]-2-phenylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[3-bromo-5-(dimethylcarbamoyl)-2-fluoro-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]-2-phenylpropanedioate Traditional Name: 2-[[2-[3-bromo-5-(dimethylcarbamoyl)-2-fluoro-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]-2-phenyl-malonic acid diethyl ester Formula: C39H35BrF4N2O8 MolecularWeight: 815.601413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COC(=O)CC1=C(C(=C(C(=C1)C(=O)N(C)C)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)Br)F)(C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(COC(=O)CC1=C(C(=C(C(=C1)C(=O)N(C)C)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)Br)F)(C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C39H35BrF4N2O8/c1-5-52-36(50)38(37(51)53-6-2,25-12-8-7-9-13-25)22-54-30(47)21-24-20-29(35(49)46(3)4)33(31(40)32(24)41)45-34(48)28-15-11-10-14-27(28)23-16-18-26(19-17-23)39(42,43)44/h7-20H,5-6,21-22H2,1-4H3,(H,45,48)