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CHEBI:40363 - 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:40363
ChEBI Name3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
Stars
DownloadsMolfile
FormulaC23H26FNO4
Net Charge0
Average Mass399.462
Monoisotopic Mass399.18459
SMILES[H]OC(=O)c1c([H])c([H])c(N([H])C(=O)[C@@]([H])(O[H])c2c([H])c([H])c3c(c2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H])c(F)c1[H]
InChIInChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1
InChIKeyAANFHDFOMFRLLR-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID (CHEBI:40363) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACIDPDBeChem
3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acidPDBeChem
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