
 CHEMBL1813272

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1813272

>  <PubChem CID>
10300616

>  <Formula>
C29H28N2O6

>  <Molecular Weight>
500.551000

>  <IUPAC Name>
2-[1-[3-methoxy-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-3-yl]acetic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)OCC4CN(C5=CC=CC=C5O4)C)OC)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)OC[C@@H]4CN(C5=CC=CC=C5O4)C)OC)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C29H28N2O6/c1-18-22(15-28(32)33)21-8-4-5-9-23(21)31(18)29(34)19-12-13-26(27(14-19)35-3)36-17-20-16-30(2)24-10-6-7-11-25(24)37-20/h4-14,20H,15-17H2,1-3H3,(H,32,33)/t20-/m0/s1

>  <InChI Key>
MBVBYVCSLLQMCH-FQEVSTJZSA-N

