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

Systemtic Name: 3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propionic acid Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-16(2)28-21(22(24)25)15-18-6-10-19(11-7-18)23-14-4-5-17-8-12-20(13-9-17)29-30(3,26)27/h6-13,16,21,23H,4-5,14-15H2,1-3H3,(H,24,25)