2-ethoxy-3-[4-[2-[2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]pyrrol-1-yl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]pyrrol-1-yl]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[2-methyl-5-[1-(p-tolylsulfonyl)pyrrol-2-yl]pyrrol-1-yl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[2-methyl-5-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-1-pyrrolyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]pyrrol-1-yl]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(1-tosylpyrrol-2-yl)pyrrol-1-yl]ethoxy]phenyl]propionic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CN3S(=O)(=O)C4=CC=C(C=C4)C)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CN3S(=O)(=O)C4=CC=C(C=C4)C)C)C(=O)O

InChI

InChI=1S/C29H32N2O6S/c1-4-36-28(29(32)33)20-23-10-12-24(13-11-23)37-19-18-30-22(3)9-16-26(30)27-6-5-17-31(27)38(34,35)25-14-7-21(2)8-15-25/h5-17,28H,4,18-20H2,1-3H3,(H,32,33)