
 SCHEMBL3499774

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3499774

>  <PubChem CID>
59335797

>  <Formula>
C33H29N3O4

>  <Molecular Weight>
531.612000

>  <IUPAC Name>
2-[[6-[(E)-2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)C=CC2=CN3C=C(N=C3C=C2)C(=O)NC(CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)/C=C/C2=CN3C=C(N=C3C=C2)C(=O)NC(CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C33H29N3O4/c1-23-7-9-24(10-8-23)11-12-26-15-18-31-34-30(21-36(31)20-26)32(37)35-29(33(38)39)19-25-13-16-28(17-14-25)40-22-27-5-3-2-4-6-27/h2-18,20-21,29H,19,22H2,1H3,(H,35,37)(H,38,39)/b12-11+

>  <InChI Key>
UMXNHIJUANIVHH-VAWYXSNFSA-N

