
 [8-(3,3-Diphenyl-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetic Acid

 69 73  0  0  0  0  0  0  0  0999 V2000
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    1.6013    3.3425    6.5200 C   0  0  0  0  0
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M  END

>  <Chemical Name>
[8-(3,3-Diphenyl-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetic Acid

>  <PubChem CID>
9848149

>  <Formula>
C30H33N3O3

>  <Molecular Weight>
483.612000

>  <IUPAC Name>
2-[8-(3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)O)CCC(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)O)CCC(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H33N3O3/c34-28(35)22-32-23-33(26-14-8-3-9-15-26)30(29(32)36)17-20-31(21-18-30)19-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,34,35)

>  <InChI Key>
BNMJRKJLCRSUJA-UHFFFAOYSA-N

