
 CHEMBL3353464

 62 64  0  0  0  0  0  0  0  0999 V2000
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    5.6645   -7.9450    1.0825 H   0  0  0  0  0
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  1 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353464

>  <PubChem CID>
68176091

>  <Formula>
C25H31ClN2O3

>  <Molecular Weight>
442.984000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-1-[2-(3,5-dimethylphenyl)acetyl]-N-(2-methoxyethyl)-2-methylazetidine-2-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCOC)CC3=CC=C(C=C3)Cl)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCOC)CC3=CC=C(C=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C25H31ClN2O3/c1-18-13-19(2)15-21(14-18)16-23(29)28-10-9-25(28,3)24(30)27(11-12-31-4)17-20-5-7-22(26)8-6-20/h5-8,13-15H,9-12,16-17H2,1-4H3

>  <InChI Key>
CCNMCOMJTSDNSG-UHFFFAOYSA-N

