
 MLS000090902

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M  END

>  <Chemical Name>
MLS000090902

>  <PubChem CID>
3239810

>  <Formula>
C19H21NO4

>  <Molecular Weight>
327.380000

>  <IUPAC Name>
2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3)C(=O)OCCOC

>  <Isomeric SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3)C(=O)OCCOC

>  <InChI Std. ID>
InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3

>  <InChI Key>
AQLXIJYAVMSMFH-UHFFFAOYSA-N

