
 CHEMBL3094128

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3094128

>  <PubChem CID>
76317221

>  <Formula>
C27H35N3O4

>  <Molecular Weight>
465.594000

>  <IUPAC Name>
N-[(3S)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCC(C3)NC(=O)C4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CC[C@@H](C3)NC(=O)C4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C27H35N3O4/c31-27(22-7-10-25-26(17-22)34-20-33-25)28-23-11-15-30(19-23)18-21-5-8-24(9-6-21)32-16-4-14-29-12-2-1-3-13-29/h5-10,17,23H,1-4,11-16,18-20H2,(H,28,31)/t23-/m0/s1

>  <InChI Key>
AVVIXBQVVAAVHK-QHCPKHFHSA-N

