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2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid
2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
COC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
Isomeric SMILES
COC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C20H25NO6S/c1-26-19(20(22)23)14-16-5-9-17(10-6-16)21-13-3-4-15-7-11-18(12-8-15)27-28(2,24)25/h5-12,19,21H,3-4,13-14H2,1-2H3,(H,22,23)
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