PD-0333941

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Systematic / IUPAC Name: 3-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid

ID: Reference2891

Other Names: 1H-Indole-1-propanoic acid, 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-

Formula: C23H22N2O4

Spectral Data

PD-0333941 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 219
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/7/2015 1:01:49 PM
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Identificators

InChI InChI=1S/C23H22N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,26,27)
InChI Key OMSPUVWUIHNYCS-UHFFFAOYSA-N
Canonical SMILES CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC4=C3C=CN4CCC(=O)O
CAS 501027492
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Other Names 1H-Indole-1-propanoic acid, 4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-

In Other Databases

ChemSpider 8310489
PubChem 10134976
ChEMBL CHEMBL3186355