2-ethoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-(5-methylsulfonyloxy-1-indolyl)propylamino]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propionic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-3-30-22(23(26)27)15-17-5-7-19(8-6-17)24-12-4-13-25-14-11-18-16-20(9-10-21(18)25)31-32(2,28)29/h5-11,14,16,22,24H,3-4,12-13,15H2,1-2H3,(H,26,27)