4-({(3R)-3-[4-(4-Chlorophenyl)-1H-imidazol-2-yl]-4-morpholinyl}methyl)benzoic acid

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Systematic / IUPAC Name: 4-[[(3R)-3-[5-(4-Chlorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid

ID: Reference9676

Other Names: Benzoic acid, 4-[[(3R)-3-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-4-morpholinyl]methyl]-;
NAT41-530075

Formula: C21H20ClN3O3

Spectral Data

4-({(3R)-3-[4-(4-Chlorophenyl)-1H-imidazol-2-yl]-4-morpholinyl}methyl)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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2788
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/11/2020 11:34:16 AM
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Identificators

InChI InChI=1S/C21H20ClN3O3/c22-17-7-5-15(6-8-17)18-11-23-20(24-18)19-13-28-10-9-25(19)12-14-1-3-16(4-2-14)21(26)27/h1-8,11,19H,9-10,12-13H2,(H,23,24)(H,26,27)/t19-/m0/s1
InChI Key ZUJIEYDQQXJCOJ-IBGZPJMESA-N
Canonical SMILES C1COCC(N1CC2=CC=C(C=C2)C(=O)O)C3=NC=C(N3)C4=CC=C(C=C4)Cl
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Other Names Benzoic acid, 4-[[(3R)-3-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-4-morpholinyl]methyl]-;
NAT41-530075

In Other Databases

PubChem 56775859
ChemSpider 29854084