diethyl 2-benzamido-4-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pentanedioate

Systemtic Name: diethyl 2-benzamido-4-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pentanedioate Openeye Name: diethyl 2-benzamido-4-(2,2,2-trifluoro-1-hydroxy-ethyl)pentanedioate CAS Name: 2-benzamido-4-(2,2,2-trifluoro-1-hydroxyethyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-benzamido-4-(2,2,2-trifluoro-1-hydroxyethyl)pentanedioate Traditional Name: 2-benzamido-4-(2,2,2-trifluoro-1-hydroxy-ethyl)glutaric acid diethyl ester Formula: C18H22F3NO6 MolecularWeight: 405.36559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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