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2-(4-Methoxyphenyl)-5-morpholin-4-yl-3H-imidazol-4-carboxylic acid, benzyl ester

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2-(4-Methoxyphenyl)-5-morpholin-4-yl-3H-imidazol-4-carboxylic acid, benzyl ester
SpectraBase Compound ID 8rxrZtN5HR9
InChI InChI=1S/C22H23N3O4/c1-27-18-9-7-17(8-10-18)20-23-19(21(24-20)25-11-13-28-14-12-25)22(26)29-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,23,24)
InChIKey ZZMPVBBPAHWFAT-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF9xAFMYcU3
Name 2-(4-Methoxyphenyl)-5-morpholin-4-yl-3H-imidazol-4-carboxylic acid, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.168856229 u
Formula C22H23N3O4
InChI InChI=1S/C22H23N3O4/c1-27-18-9-7-17(8-10-18)20-23-19(21(24-20)25-11-13-28-14-12-25)22(26)29-15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,23,24)
InChIKey ZZMPVBBPAHWFAT-UHFFFAOYSA-N
Molecular Weight 393.443 g/mol
SMILES C=1(NC(C(=O)OCC2=CC=CC=C2)=C(N1)N1CCOCC1)C1=CC=C(C=C1)OC