
 CHEMBL1813288

 66 70  0  0  0  0  0  0  0  0999 V2000
    3.9234    4.4669    5.8386 C   0  0  0  0  0
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    3.8737    0.0872    3.1329 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1813288

>  <PubChem CID>
21893828

>  <Formula>
C30H30N2O4

>  <Molecular Weight>
482.580000

>  <IUPAC Name>
2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C(CC2=CC=CC=C21)COC3=CC(=C(C=C3)C(=O)N4C(=C(C5=CC=CC=C54)CC(=O)O)C)C

>  <Isomeric SMILES>
CCN1C(CC2=CC=CC=C21)COC3=CC(=C(C=C3)C(=O)N4C(=C(C5=CC=CC=C54)CC(=O)O)C)C

>  <InChI Std. ID>
InChI=1S/C30H30N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,22H,4,16-18H2,1-3H3,(H,33,34)

>  <InChI Key>
VAIYPASGHXDISO-UHFFFAOYSA-N

