
 CHEMBL1915669

 58 62  0  0  0  0  0  0  0  0999 V2000
    3.3822   -3.1658    7.9906 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915669

>  <PubChem CID>
10139183

>  <Formula>
C27H24N2O5

>  <Molecular Weight>
456.498000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CC(OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)N4C=CC5=C(C=CC=C54)CC(=O)O

>  <Isomeric SMILES>
CN1C[C@H](OC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)N4C=CC5=C(C=CC=C54)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H24N2O5/c1-28-16-21(34-25-8-3-2-6-24(25)28)17-33-20-11-9-18(10-12-20)27(32)29-14-13-22-19(15-26(30)31)5-4-7-23(22)29/h2-14,21H,15-17H2,1H3,(H,30,31)/t21-/m0/s1

>  <InChI Key>
BTHUBRJFQVQARS-NRFANRHFSA-N

