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

Systemtic Name: 2-ethoxy-3-[4-[2-(2-methyl-5-thiophen-2-yl-pyrrol-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(2-thienyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(2-methyl-5-thiophen-2-yl-1-pyrrolyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(2-methyl-5-thiophen-2-ylpyrrol-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(2-thienyl)pyrrol-1-yl]ethoxy]phenyl]propionic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CS3)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=CS3)C)C(=O)O

InChI

InChI=1S/C22H25NO4S/c1-3-26-20(22(24)25)15-17-7-9-18(10-8-17)27-13-12-23-16(2)6-11-19(23)21-5-4-14-28-21/h4-11,14,20H,3,12-13,15H2,1-2H3,(H,24,25)