2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilino]carbonyl}benzoic acid

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Systematic / IUPAC Name: 2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)phenyl]carbamoyl}benzoic acid

ID: Reference4483

Other Names: Benzoic acid, 2-({[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-

Formula: C19H17F3N2O3

Spectral Data

2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilino]carbonyl}benzoic acid 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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/11/2016 7:06:25 AM
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Identificators

InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)12-7-8-16(24-9-3-4-10-24)15(11-12)23-17(25)13-5-1-2-6-14(13)18(26)27/h1-2,5-8,11H,3-4,9-10H2,(H,23,25)(H,26,27)
InChI Key AZTAALUEPVXZTQ-UHFFFAOYSA-N
Canonical SMILES C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3C(=O)O
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Other Names Benzoic acid, 2-({[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-

In Other Databases

ChEMBL CHEMBL1540214
ChemSpider 2093192
PubChem 2814807