Nequinate
CAS Registry Number®
13997-19-8
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CAS Name
NequinateMolecular Formula
C22H23NO4Molecular Mass
365.42Cite this Page
Nequinate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13997-19-8 (retrieved ) (CAS RN: 13997-19-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
287.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChIKey
InChIKey=NNOPDLNHPOLRRE-UHFFFAOYSA-N
SMILES
O=C1C=2C(=CC(OCC3=CC=CC=C3)=C(CCCC)C2)NC=C1C(OC)=O
Canonical SMILES
O=C(OC)C1=CNC2=CC(OCC=3C=CC=CC3)=C(C=C2C1=O)CCCC
Other Names for this Substance
- 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
- 3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester
- Methyl benzoquate
- Methyl 7-(benzyloxy)-6-n-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
- Nequinate
Deleted or Replaced CAS Registry Numbers
55353-14-5
