
 CHEMBL465377

 69 73  0  0  0  0  0  0  0  0999 V2000
    4.5778    3.0592   -4.5365 C   0  0  0  0  0
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    8.3657    8.0598   -3.0769 H   0  0  0  0  0
    7.9310    5.7880   -2.2973 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL465377

>  <PubChem CID>
44581449

>  <Formula>
C30H32ClNO5

>  <Molecular Weight>
522.038000

>  <IUPAC Name>
ethyl 3-(4-chlorophenyl)-2-[1,4-dioxaspiro[4.5]decan-8-yl(naphthalene-1-carbonyl)amino]propanoate

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(=O)C(CC1=CC=C(C=C1)Cl)N(C2CCC3(CC2)OCCO3)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CCOC(=O)C(CC1=CC=C(C=C1)Cl)N(C2CCC3(CC2)OCCO3)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C30H32ClNO5/c1-2-35-29(34)27(20-21-10-12-23(31)13-11-21)32(24-14-16-30(17-15-24)36-18-19-37-30)28(33)26-9-5-7-22-6-3-4-8-25(22)26/h3-13,24,27H,2,14-20H2,1H3

>  <InChI Key>
BBJLFAYVLUMMBT-UHFFFAOYSA-N

