Ketcher 10131515092D 1   1.00000     0.00000     0

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  5 21  1  0     0  0
M  END
> <ID>
CHEBI:88206

> <NAME>
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate

> <DEFINITION>
A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.

> <STAR>
3

> <IUPAC_NAME>
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate

> <FORMULA>
C16H25NO4

> <MASS>
295.375

> <MONOISOTOPIC_MASS>
295.17836

> <CHARGE>
0

> <SMILES>
C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC

> <INCHI>
InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3

> <INCHIKEY>
AQNDDEOPVVGCPG-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-4957

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