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

Systemtic Name: 2-ethoxy-3-[4-[2-(2-ethyl-5-phenethyl-pyrrol-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(2-ethyl-5-phenethyl-pyrrol-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(2-ethyl-5-phenethyl-1-pyrrolyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(2-ethyl-5-phenethylpyrrol-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(2-ethyl-5-phenethyl-pyrrol-1-yl)ethoxy]phenyl]propionic acid Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1CCOC2=CC=C(C=C2)CC(C(=O)O)OCC)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(N1CCOC2=CC=C(C=C2)CC(C(=O)O)OCC)CCC3=CC=CC=C3

InChI

InChI=1S/C27H33NO4/c1-3-23-14-15-24(13-10-21-8-6-5-7-9-21)28(23)18-19-32-25-16-11-22(12-17-25)20-26(27(29)30)31-4-2/h5-9,11-12,14-17,26H,3-4,10,13,18-20H2,1-2H3,(H,29,30)