2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethanoylamino]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethanoylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[[2-(4-methylsulfonyloxyphenyl)acetyl]amino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[[2-(4-methylsulfonyloxyphenyl)-1-oxoethyl]amino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[[2-(4-methylsulfonyloxyphenyl)acetyl]amino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[[2-(4-methylsulfonyloxyphenyl)acetyl]amino]phenyl]propionic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C20H23NO7S/c1-3-27-18(20(23)24)12-14-4-8-16(9-5-14)21-19(22)13-15-6-10-17(11-7-15)28-29(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)(H,23,24)