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(Q1989)
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instance of
chemical compound
0 references
SMILES (without stereochemistry)
CCNCC(=O)NC1=C(C=CC(=C1C)O)C
0 references
chemical formula
C₁₂H₁₈N₂O₂
1 reference
based on heuristic
inferred from SMILES
mass
222.284
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)
1 reference
based on heuristic
inferred from SMILES
InChIKey
YITCMQBVWIHTTA-UHFFFAOYSA-N
0 references
PubChem CID
3015693
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP2646
0 references