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beta-Butoxyethyl nicotinate

PropertiesImage
MNX_IDMNXM43778 Image of MNXM43778
referencechebi:32322
formulaC12H17NO3
global charge0
mol weight223.272
InChIKeyIZJRISIINLJVBU-UHFFFAOYSA-N
InChIInChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3
SMILESCCCCOCCOC(=O)C1=CC=CN=C1
MNX internals
InChI (mnx)InChI=1/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3 Image of MNXM43778
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:7][O:15][CH2:8][CH2:9][O:16][C:12]([C:11]1=[CH:10][N:13]=[CH:6][CH:4]=[CH:5]1)=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32322
chebi:32322
kegg.compound:C13138
keggC:C13138
IZJRISIINLJVBU-UHFFFAOYSA-N 		beta-Butoxyethyl nicotinate
Nicoboxil
hmdb:HMDB0255581
IZJRISIINLJVBU-UHFFFAOYSA-N 		Nicoboxil
2-Butoxyethyl nicotinate
2-Butoxyethyl pyridine-3-carboxylic acid
2-butoxyethyl pyridine-3-carboxylate
beta-Butoxyethyl nicotinate
nicoboxil

seed.compound:cpd09384
seedM:cpd09384
IZJRISIINLJVBU-UHFFFAOYSA-N 		Nicoboxil
beta-Butoxyethyl nicotinate

kegg.drug:D01677
keggD:D01677
IZJRISIINLJVBU-UHFFFAOYSA-N 		beta-Butoxyethyl nicotinate (JAN)
Nicoboxil (INN)

keggC:M_C13138
keggD:M_D01677
seedM:M_cpd09384 		secondary/obsolete/fantasy identifier