
 CHEMBL155987

 67 71  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL155987

>  <PubChem CID>
15230312

>  <Formula>
C32H29NO5

>  <Molecular Weight>
507.586000

>  <IUPAC Name>
2-(2,2-diphenylacetyl)-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C2CC(N(CC2=C1)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

>  <Isomeric SMILES>
COC1=C(C=C2CC(N(CC2=C1)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H29NO5/c1-37-28-19-26-20-33(31(34)30(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)17-25(26)18-29(28)38-21-22-11-5-2-6-12-22/h2-16,18-19,27,30H,17,20-21H2,1H3,(H,35,36)

>  <InChI Key>
BIHSVIQMDYNYTP-UHFFFAOYSA-N

