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CAS 127408-30-4

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N-[(3S,4R)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)acetamide

Description:
N-[(3S,4R)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)acetamide, with CAS number 127408-30-4, is a synthetic organic compound characterized by its complex structure, which includes a benzopyran moiety and a cyano group. This compound features a chiral center, contributing to its stereochemistry, specifically in the (3S,4R) configuration. The presence of the hydroxyl group indicates potential for hydrogen bonding, which may influence its solubility and reactivity. The acetamide functional group suggests that it may exhibit properties typical of amides, such as stability under various conditions and potential for forming hydrogen bonds. Additionally, the phenylmethoxy substituent can enhance lipophilicity, potentially affecting the compound's biological activity and pharmacokinetics. Overall, this compound may be of interest in medicinal chemistry, particularly for its potential therapeutic applications, although specific biological activities would require further investigation.
Formula:C21H22N2O4
InChI:InChI=1S/C21H22N2O4/c1-14(24)23(26-13-15-7-5-4-6-8-15)19-17-11-16(12-22)9-10-18(17)27-21(2,3)20(19)25/h4-11,19-20,25H,13H2,1-3H3/t19-,20+/m1/s1
InChI key:InChIKey=RHFUXPCCELGMFC-UXHICEINSA-N
SMILES:N(OCC1=CC=CC=C1)(C(C)=O)[C@@H]2C=3C(OC(C)(C)[C@H]2O)=CC=C(C#N)C3
Synonyms:
  • Acetamide, N-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-(phenylmethoxy)-, (3S-trans)-
  • Acetamide, N-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)-
  • N-(benzyloxy)-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
  • N-(benzyloxy)-N-[(3S,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]acetamide
  • Y-27152
  • N-[(3S,4R)-6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-N-(phenylmethoxy)acetamide
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