CP-532623

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Systematic / IUPAC Name: Isopropyl 4-{acetyl[3,5-bis(trifluoromethyl)benzyl]amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1(2H)-quinolinecarboxylate

ID: Reference2959

Other Names: 1(2H)-Quinolinecarboxylic acid, 4-(acetyl{[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester

Formula: C27H27F9N2O3

Spectral Data

CP-532623 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 400
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/30/2015 8:40:55 AM
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Identificators

InChI InChI=1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3
InChI Key TUPKOWFPVAXQFP-UHFFFAOYSA-N
Canonical SMILES CCC1CC(C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C
CAS 261947380
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Other Names 1(2H)-Quinolinecarboxylic acid, 4-(acetyl{[3,5-bis(trifluoromethyl)phenyl]methyl}amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester

In Other Databases

ChemSpider 8296937
PubChem 10121417