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

Systemtic Name: 2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propoxycarbonylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propoxycarbonylamino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[[3-(4-methylsulfonyloxyphenyl)propoxy-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propoxycarbonylamino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propoxycarbonylamino]phenyl]propionic acid Formula: C22H27NO8S MolecularWeight: 465.51668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NC(=O)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NC(=O)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H27NO8S/c1-3-29-20(21(24)25)15-17-6-10-18(11-7-17)23-22(26)30-14-4-5-16-8-12-19(13-9-16)31-32(2,27)28/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,25)