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(Q82866985)
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English
5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-hydroxyphenyl]-3-[2-ethoxy-4-methyl-5-(phenylamino)phenyl]-1,3-dihydro-1-oxo-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
566.2416868079999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₃₄N₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOc1cc(C)c(Nc2ccccc2)cc1C1(c2ccc(N(CC)CC)cc2O)OC(=O)c2ccc(C(=O)O)cc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C34H34N2O6/c1-5-36(6-2)24-14-16-26(30(37)19-24)34(27-18-22(32(38)39)13-15-25(27)33(40)42-34)28-20-29(21(4)17-31(28)41-7-3)35-23-11-9-8-10-12-23/h8-20,35,37H,5-7H2,1-4H3,(H,38,39)
0 references
InChIKey
HHRJYJYCVVVXJZ-UHFFFAOYSA-N
0 references
CAS Registry Number
70815-14-4
1 reference
InChIKey
HHRJYJYCVVVXJZ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=70815-14-4
PubChem CID
116704
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
DSSTox substance ID
DTXSID90887741
0 references
DSSTOX compound identifier
DTXCID10876435
0 references
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