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

Systemtic Name: 2-ethoxy-3-[4-[2-(2-methyl-5-quinolin-2-yl-pyrrol-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(2-quinolyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(2-quinolinyl)-1-pyrrolyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(2-methyl-5-quinolin-2-ylpyrrol-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-methyl-5-(2-quinolyl)pyrrol-1-yl]ethoxy]phenyl]propionic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=NC4=CC=CC=C4C=C3)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=NC4=CC=CC=C4C=C3)C)C(=O)O

InChI

InChI=1S/C27H28N2O4/c1-3-32-26(27(30)31)18-20-9-12-22(13-10-20)33-17-16-29-19(2)8-15-25(29)24-14-11-21-6-4-5-7-23(21)28-24/h4-15,26H,3,16-18H2,1-2H3,(H,30,31)