2-(3-bromanylpyrrol-1-yl)-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-(3-bromanylpyrrol-1-yl)-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-(3-bromopyrrol-1-yl)-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propanoic acid CAS Name: 2-(3-bromo-1-pyrrolyl)-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(3-bromopyrrol-1-yl)-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(3-bromopyrrol-1-yl)-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionic acid Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)O)N3C=CC(=C3)Br

Isomeric SMILES

CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)O)N3C=CC(=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c1-2-16-3-6-19(24-14-16)10-12-28-20-7-4-17(5-8-20)13-21(22(26)27)25-11-9-18(23)15-25/h3-9,11,14-15,21H,2,10,12-13H2,1H3,(H,26,27)