
 CHEMBL2048971

 58 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2048971

>  <PubChem CID>
70684166

>  <Formula>
C23H29NO5

>  <Molecular Weight>
399.487000

>  <IUPAC Name>
N-methyl-3-phenyl-N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]propan-1-amine;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CCCC1=CC=CC=C1)CCOCC=CC2=CC=CC=C2.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CN(CCCC1=CC=CC=C1)CCOC/C=C/C2=CC=CC=C2.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C21H27NO.C2H2O4/c1-22(16-8-14-20-10-4-2-5-11-20)17-19-23-18-9-15-21-12-6-3-7-13-21;3-1(4)2(5)6/h2-7,9-13,15H,8,14,16-19H2,1H3;(H,3,4)(H,5,6)/b15-9+;

>  <InChI Key>
CWOVTUFCAAFWMB-NSPIFIKESA-N

