methyl 2-ethyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoate

Systemtic Name: methyl 2-ethyl-4-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoate Openeye Name: methyl 2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoate CAS Name: 2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzoate Traditional Name: 2-ethyl-4-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid methyl ester Formula: C14H16F3NO4 MolecularWeight: 319.27635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)C(C)(C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)C(C)(C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C14H16F3NO4/c1-4-8-7-9(5-6-10(8)11(19)22-3)18-12(20)13(2,21)14(15,16)17/h5-7,21H,4H2,1-3H3,(H,18,20)