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CHEBI:77650 - (R)-nafenopin

ChEBI IDCHEBI:77650
ChEBI Name(R)-nafenopin
Stars
ASCII Name(R)-nafenopin
DefinitionA 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has R 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-/m1/s1
InChIKeyXJGBDJOMWKAZJS-GOSISDBHSA-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)
(R)-nafenopin (CHEBI:77650) is a 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid (CHEBI:77649)
(R)-nafenopin (CHEBI:77650) is enantiomer of (S)-nafenopin (CHEBI:77651)
Incoming Relation(s)
nafenopin (CHEBI:7449) has part (R)-nafenopin (CHEBI:77650)
(S)-nafenopin (CHEBI:77651) is enantiomer of (R)-nafenopin (CHEBI:77650)
IUPAC Name 
2-methyl-2-{4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy}propanoic acid
Registry NumbersSources
Reaxys:7283463Reaxys