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

Systemtic Name: 3-[4-[2-(2-butyl-5-methyl-pyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-(2-butyl-5-methyl-pyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-(2-butyl-5-methyl-1-pyrrolyl)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-(2-butyl-5-methylpyrrol-1-yl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-(2-butyl-5-methyl-pyrrol-1-yl)ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(N1CCOC2=CC=C(C=C2)CC(C(=O)O)OCC)C

Isomeric SMILES

CCCCC1=CC=C(N1CCOC2=CC=C(C=C2)CC(C(=O)O)OCC)C

InChI

InChI=1S/C22H31NO4/c1-4-6-7-19-11-8-17(3)23(19)14-15-27-20-12-9-18(10-13-20)16-21(22(24)25)26-5-2/h8-13,21H,4-7,14-16H2,1-3H3,(H,24,25)