diethyl 2-[4-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[4-(trifluoromethyl)phenyl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[4-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[4-(trifluoromethyl)phenyl]carbonylamino]propanedioate Openeye Name: diethyl 2-[4-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[4-(trifluoromethyl)benzoyl]amino]propanedioate CAS Name: 2-[4-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[4-(trifluoromethyl)benzoyl]amino]propanedioate Traditional Name: 2-[4-(2-carbethoxy-2-methyl-1,3-dioxan-5-yl)butyl]-2-[[4-(trifluoromethyl)benzoyl]amino]malonic acid diethyl ester Formula: C27H36F3NO9 MolecularWeight: 575.57125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OCC(CO1)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1(OCC(CO1)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C27H36F3NO9/c1-5-36-22(33)25(4)39-16-18(17-40-25)10-8-9-15-26(23(34)37-6-2,24(35)38-7-3)31-21(32)19-11-13-20(14-12-19)27(28,29)30/h11-14,18H,5-10,15-17H2,1-4H3,(H,31,32)