
 MLS000731975

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M  END

>  <Chemical Name>
MLS000731975

>  <PubChem CID>
16191646

>  <Formula>
C24H31N3O2

>  <Molecular Weight>
393.531000

>  <IUPAC Name>
ethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC=CC=C3C)CC4CC4

>  <Isomeric SMILES>
CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC=CC=C3C)CC4CC4

>  <InChI Std. ID>
InChI=1S/C24H31N3O2/c1-3-29-23(28)24(14-19-8-9-19)10-12-27(13-11-24)17-20-15-25-22(26-16-20)21-7-5-4-6-18(21)2/h4-7,15-16,19H,3,8-14,17H2,1-2H3

>  <InChI Key>
AVQYMSDSZMZIHU-UHFFFAOYSA-N

