5-(4-Methoxyanilino)-5-oxo-3-(3,4,5-trimethoxyphenyl)pentanoic acid

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Systematic / IUPAC Name: 5-[(4-Methoxyphenyl)amino]-5-oxo-3-(3,4,5-trimethoxyphenyl)pentanoic acid

ID: Reference4174

Other Names: Benzenepropanoic acid, 3,4,5-trimethoxy-β-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-

Formula: C21H25NO7

Spectral Data

5-(4-Methoxyanilino)-5-oxo-3-(3,4,5-trimethoxyphenyl)pentanoic 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/11/2016 1:20:30 PM
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Identificators

InChI InChI=1S/C21H25NO7/c1-26-16-7-5-15(6-8-16)22-19(23)11-14(12-20(24)25)13-9-17(27-2)21(29-4)18(10-13)28-3/h5-10,14H,11-12H2,1-4H3,(H,22,23)(H,24,25)
InChI Key WOUOXOYLPRMEPB-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)NC(=O)CC(CC(=O)O)C2=CC(=C(C(=C2)OC)OC)OC
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Other Names Benzenepropanoic acid, 3,4,5-trimethoxy-β-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-

In Other Databases

ChemSpider 2013929
PubChem 2732108