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2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid
2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
Isomeric SMILES
CCOC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
InChI
InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-6-10-18(11-7-17)22-14-4-5-16-8-12-19(13-9-16)28-29(2,25)26/h6-13,20,22H,3-5,14-15H2,1-2H3,(H,23,24)
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