
 MLS000559431

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M  END

>  <Chemical Name>
MLS000559431

>  <PubChem CID>
4886081

>  <Formula>
C32H33N3O3

>  <Molecular Weight>
507.634000

>  <IUPAC Name>


>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C3C(=C1)C(CC(N3C(=O)C24C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C)(C)C6=CC=CC=C6

>  <Isomeric SMILES>
CC1=CC2=C3C(=C1)C(CC(N3C(=O)C24C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)(C)C)(C)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C32H33N3O3/c1-18-12-20-26-21(13-18)32(22(16-33)27(34)38-24-15-29(2,3)14-23(36)25(24)32)28(37)35(26)30(4,5)17-31(20,6)19-10-8-7-9-11-19/h7-13H,14-15,17,34H2,1-6H3

>  <InChI Key>
BMPGAVJJJFFABI-UHFFFAOYSA-N

