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English
(4R,7S)-2-{4-[(4-Aminophenyl)methyl]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
group of stereoisomers with the chemical formula C₂₂H₂₀N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
344.15247788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₀N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Nc1ccc(Cc2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Nc1ccc(Cc2ccc(N3C(=O)C4C(C3=O)[C@H]3C=C[C@@H]4C3)cc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H20N2O2/c23-17-7-1-13(2-8-17)11-14-3-9-18(10-4-14)24-21(25)19-15-5-6-16(12-15)20(19)22(24)26/h1-10,15-16,19-20H,11-12,23H2/t15-,16+,19?,20?
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InChIKey
SXKBQLZMICXHNV-BANKROOTSA-N
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CAS Registry Number
76079-45-3
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PubChem CID
71310070
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
22903599
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10746048
0 references
DSSTOX compound identifier
DTXCID70696792
0 references
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