
 CHEMBL435445

 59 61  0  0  0  0  0  0  0  0999 V2000
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    2.8492    3.6080   -0.0201 N   0  0  0  0  0
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    7.0555    7.9643   -2.7630 Cl  0  0  0  0  0
    0.6377    0.9519    2.4665 H   0  0  0  0  0
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    5.8074   -4.4982   -2.1897 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL435445

>  <PubChem CID>
44373463

>  <Formula>
C26H27ClN2O3

>  <Molecular Weight>
450.963000

>  <IUPAC Name>
3-chloro-N-[(E)-[2,3-dimethyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]methylideneamino]-4-hydroxybenzamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC(=C1C)OCC2=CC=C(C=C2)C(C)C)C=NNC(=O)C3=CC(=C(C=C3)O)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1C)OCC2=CC=C(C=C2)C(C)C)/C=N/NC(=O)C3=CC(=C(C=C3)O)Cl

>  <InChI Std. ID>
InChI=1S/C26H27ClN2O3/c1-16(2)20-7-5-19(6-8-20)15-32-25-12-10-22(17(3)18(25)4)14-28-29-26(31)21-9-11-24(30)23(27)13-21/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+

>  <InChI Key>
ASGOMALKAXVFRD-CCVNUDIWSA-N

