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English
N-(Benzyloxy)-N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)acetamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
366.157957184
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-N-phenylmethoxyacetamide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂N₂O₄
0 references
canonical SMILES
CC(=O)N(OCc1ccccc1)C1c2cc(C#N)ccc2OC(C)(C)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N([C@@H]1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O)OCC3=CC=CC=C3
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Identifiers
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-/m0/s1
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InChIKey
RHFUXPCCELGMFC-PMACEKPBSA-N
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CAS Registry Number
127408-30-4
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PubChem CID
130934
1 reference
matched by identifier from
InChIKey
InChIKey
RHFUXPCCELGMFC-PMACEKPBSA-N
UniChem compound ID
62826118
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80925883
0 references
DSSTOX compound identifier
DTXCID501354706
0 references
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