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

Systemtic Name: 2-ethoxy-3-[3-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[3-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[3-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[3-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[3-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propionic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=CC=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC(=CC=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H27NO6S/c1-3-27-20(21(23)24)15-17-6-4-8-18(14-17)22-13-5-7-16-9-11-19(12-10-16)28-29(2,25)26/h4,6,8-12,14,20,22H,3,5,7,13,15H2,1-2H3,(H,23,24)