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4-(diethylamino)but-2-yn-1-ol

Go to external page http://purl.obolibrary.org/obo/CHEBI_144551

A carboxylic ester resulting from the formal condensation of the carboxy group of cyclohexyl(hydroxy)phenylacetic acid with the hydroxy group of 4-(diethylamino)but-2-yn-1-ol.

Term info

Label

4-(diethylamino)but-2-yn-1-ol

Synonyms
  • 4-(diethylamino)but-2-yn-1-ol
Subsets

3_STAR

IUPAC NAME
4-(diethylamino)but-2-yn-1-ol [ IUPAC ]

charge

0

formula

C22H31NO3

has obo namespace

chebi_ontology

has related synonym

alpha-cyclohexyl-alpha-hydroxybenzeneacetic acid 4-(diethylamino)-2-butynyl ester

id

CHEBI:144551

inchi

InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3

inchikey

XIQVNETUBQGFHX-UHFFFAOYSA-N

mass

357.494

monoisotopicmass

357.23039

smiles

C1(CCCCC1)C(C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O