
 CHEMBL363408

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL363408

>  <PubChem CID>
44402253

>  <Formula>
C31H33NO5

>  <Molecular Weight>
499.607000

>  <IUPAC Name>
[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl] 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CCC(C2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)(C)C)C

>  <Isomeric SMILES>
CC1(CCC(C2=C1C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)(C)C)C

>  <InChI Std. ID>
InChI=1S/C31H33NO5/c1-30(2)15-16-31(3,4)25-17-20(11-14-24(25)30)26(33)18-37-29(36)19-9-12-21(13-10-19)32-27(34)22-7-5-6-8-23(22)28(32)35/h5-6,9-14,17,22-23H,7-8,15-16,18H2,1-4H3

>  <InChI Key>
ANWMGVSXIWLUMG-UHFFFAOYSA-N

