Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Ginger oleoresin 8002-60-6 2042922
Structure Other Information
Canonical SMILES COC(=O)C1=C(NC=[N+]1CC(COC2=CC=CC=C2)O)C(=O)NCC3=CC=CC=C3
Iso SMILES COC(=O)C1=C(NC=[N+]1C[C@H](COC2=CC=CC=C2)O)C(=O)NCC3=CC=CC=C3
InChI InChI=1S/C22H23N3O5/c1-29-22(28)20-19(21(27)23-12-16-8-4-2-5-9-16)24-15-25(20)13-17(26)14-30-18-10-6-3-7-11-18/h2-11,15,17,26H,12-14H2,1H3,(H,23,27)/p+1/t17-/m1/s1
InChI Key MSBAVOSCDPTMNN-QGZVFWFLSA-O
Formula C22H24N3O5+
Mol Weight 410.443
XlogP3 2.5
Charge 1

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Synonyms Information
CAS Name 3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-3-ium-4-carboxylic acid methyl ester
IUPAC Name methyl 5-(benzylcarbamoyl)-3-[(2R)-2-hydroxy-3-phenoxy-propyl]-1H-imidazol-3-ium-4-carboxylate
Openeye Name methyl 5-(benzylcarbamoyl)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-1H-imidazol-3-ium-4-carboxylate
Systematic Name methyl 3-[(2R)-2-oxidanyl-3-phenoxy-propyl]-5-[(phenylmethyl)carbamoyl]-1H-imidazol-3-ium-4-carboxylate
Tratitional Name methyl 3-[(2R)-2-oxidanyl-3-phenoxy-propyl]-5-[(phenylmethyl)carbamoyl]-1H-imidazol-3-ium-4-carboxylate