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

Systemtic Name: 2-ethoxy-3-[4-[3-[4-(4-methylphenyl)sulfonyloxyphenyl]propylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-[4-(p-tolylsulfonyloxy)phenyl]propylamino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-[4-(4-methylphenyl)sulfonyloxyphenyl]propylamino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-[4-(4-methylphenyl)sulfonyloxyphenyl]propylamino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(4-tosyloxyphenyl)propylamino]phenyl]propionic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C27H31NO6S/c1-3-33-26(27(29)30)19-22-8-12-23(13-9-22)28-18-4-5-21-10-14-24(15-11-21)34-35(31,32)25-16-6-20(2)7-17-25/h6-17,26,28H,3-5,18-19H2,1-2H3,(H,29,30)