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

Systemtic Name: diethyl 2-(5-azanylpyridin-2-yl)-2-[2-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoyloxymethyl]propanedioate Openeye Name: diethyl 2-(5-amino-2-pyridyl)-2-[[2-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]propanedioate CAS Name: 2-(5-amino-2-pyridinyl)-2-[[2-[3-[dimethylamino(oxo)methyl]-4-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]phenyl]-1-oxoethoxy]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-aminopyridin-2-yl)-2-[[2-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]propanedioate Traditional Name: 2-(5-amino-2-pyridyl)-2-[[2-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]malonic acid diethyl ester Formula: C38H37F3N4O8 MolecularWeight: 734.71759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H37F3N4O8/c1-5-51-35(49)37(36(50)52-6-2,31-18-16-26(42)21-43-31)22-53-32(46)20-23-11-17-30(29(19-23)34(48)45(3)4)44-33(47)28-10-8-7-9-27(28)24-12-14-25(15-13-24)38(39,40)41/h7-19,21H,5-6,20,22,42H2,1-4H3,(H,44,47)