diethyl 2-[1-formamido-2-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethyl]propanedioate

Systemtic Name: diethyl 2-[1-formamido-2-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethyl]propanedioate Openeye Name: diethyl 2-[1-formamido-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanedioate CAS Name: 2-[1-formamido-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-formamido-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanedioate Traditional Name: 2-[1-formamido-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]malonic acid diethyl ester Formula: C18H22F3NO6 MolecularWeight: 405.36559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC=C(C=C1)OCC(F)(F)F)NC=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC1=CC=C(C=C1)OCC(F)(F)F)NC=O)C(=O)OCC

InChI

InChI=1S/C18H22F3NO6/c1-3-26-16(24)15(17(25)27-4-2)14(22-11-23)9-12-5-7-13(8-6-12)28-10-18(19,20)21/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,22,23)