[4,4,4-tris(fluoranyl)-2-methyl-3-oxidanylidene-butan-2-yl] 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [4,4,4-tris(fluoranyl)-2-methyl-3-oxidanylidene-butan-2-yl] 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: (3,3,3-trifluoro-1,1-dimethyl-2-oxo-propyl) 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid (4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl) ester IUPAC Name: (4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl) 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid (3,3,3-trifluoro-2-keto-1,1-dimethyl-propyl) ester Formula: C14H16F3NO4 MolecularWeight: 319.27635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(F)(F)F)OC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C)(C(=O)C(F)(F)F)OC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C14H16F3NO4/c1-13(2,12(21)14(15,16)17)22-11(20)10(18)7-8-3-5-9(19)6-4-8/h3-6,10,19H,7,18H2,1-2H3