
 MLS000689985

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M  END

>  <Chemical Name>
MLS000689985

>  <PubChem CID>
1233277

>  <Formula>
C23H17NO4

>  <Molecular Weight>
371.392000

>  <IUPAC Name>
4-[3-[(1,3-dioxoinden-2-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)C4=CC=CC=C4C3=O

>  <Isomeric SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)C4=CC=CC=C4C3=O

>  <InChI Std. ID>
InChI=1S/C23H17NO4/c1-13-11-16(12-20-21(25)18-5-3-4-6-19(18)22(20)26)14(2)24(13)17-9-7-15(8-10-17)23(27)28/h3-12H,1-2H3,(H,27,28)

>  <InChI Key>
AYWOBRMNACLWLN-UHFFFAOYSA-N

