Methyl 5-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-2-morpholinobenzoate

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Systematic / IUPAC Name: Methyl 5-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-(4-morpholinyl)benzoate

ID: Reference3688

Other Names: Benzoic acid, 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-(4-morpholinyl)-, methyl ester ;
Methyl 5-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-2-(morpholin-4-yl)benzoate

Formula: C23H21Cl2N3O5

Spectral Data

Methyl 5-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-2-morpholinobenzoate 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/3/2016 1:08:56 PM
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Identificators

InChI InChI=1S/C23H21Cl2N3O5/c1-13-19(21(27-33-13)20-16(24)4-3-5-17(20)25)22(29)26-14-6-7-18(15(12-14)23(30)31-2)28-8-10-32-11-9-28/h3-7,12H,8-11H2,1-2H3,(H,26,29)
InChI Key YBMUDNAKHLMVRP-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC
CAS
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Other Names Benzoic acid, 5-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-2-(4-morpholinyl)-, methyl ester ;
Methyl 5-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-2-(morpholin-4-yl)benzoate

In Other Databases

ChEMBL CHEMBL1540135
PubChem 2810080
ChemSpider 2088500