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CHEBI:77651 - (S)-nafenopin

ChEBI IDCHEBI:77651
ChEBI Name(S)-nafenopin
Stars
ASCII Name(S)-nafenopin
DefinitionA 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has S configuration at the chiral centre.
Last Modified11 March 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H22O3
Net Charge0
Average Mass310.393
Monoisotopic Mass310.15689
SMILES[H][C@@]1(c2ccc(OC(C)(C)C(=O)O)cc2)CCCc2ccccc21
InChIInChI=1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyXJGBDJOMWKAZJS-SFHVURJKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-nafenopin (CHEBI:77651) is a 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid (CHEBI:77649)
(S)-nafenopin (CHEBI:77651) is enantiomer of (R)-nafenopin (CHEBI:77650)
Incoming Relation(s)
nafenopin (CHEBI:7449) has part (S)-nafenopin (CHEBI:77651)
(R)-nafenopin (CHEBI:77650) is enantiomer of (S)-nafenopin (CHEBI:77651)
IUPAC Name 
2-methyl-2-{4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy}propanoic acid
Registry NumbersSources
Reaxys:7283462Reaxys