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

Systemtic Name: 3-[4-[2-[2-(5-bromanylthiophen-2-yl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[2-(5-bromo-2-thienyl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[2-(5-bromo-2-thiophenyl)-5-methyl-1-pyrrolyl]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[2-(5-bromothiophen-2-yl)-5-methylpyrrol-1-yl]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[2-(5-bromo-2-thienyl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C22H24BrNO4S MolecularWeight: 478.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(S3)Br)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(S3)Br)C)C(=O)O

InChI

InChI=1S/C22H24BrNO4S/c1-3-27-19(22(25)26)14-16-5-7-17(8-6-16)28-13-12-24-15(2)4-9-18(24)20-10-11-21(23)29-20/h4-11,19H,3,12-14H2,1-2H3,(H,25,26)