
 CHEMBL1915674

 65 68  0  0  0  0  0  0  0  0999 V2000
    0.7293    0.1933   -1.5121 C   0  0  0  0  0
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    1.4582   -2.2192   -0.5665 H   0  0  0  0  0
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    3.2445    7.7657   -1.6578 H   0  0  0  0  0
    5.1030    4.6850   -0.9038 H   0  0  0  0  0
    5.0840    6.2001    0.0379 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915674

>  <PubChem CID>
11236846

>  <Formula>
C28H30N2O5

>  <Molecular Weight>
474.557000

>  <IUPAC Name>
2-[3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-methylphenyl]acetic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1)CC(=O)O)NC(=O)C2=CC(=C(C=C2C)OCC3CN(C4=CC=CC=C4O3)C)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)CC(=O)O)NC(=O)C2=CC(=C(C=C2C)OC[C@@H]3CN(C4=CC=CC=C4O3)C)C

>  <InChI Std. ID>
InChI=1S/C28H30N2O5/c1-17-9-10-20(14-27(31)32)13-23(17)29-28(33)22-11-19(3)26(12-18(22)2)34-16-21-15-30(4)24-7-5-6-8-25(24)35-21/h5-13,21H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t21-/m0/s1

>  <InChI Key>
SKEHAMNORHPEGX-NRFANRHFSA-N

