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

Systemtic Name: 3-[4-[2-[2-(4-cyanophenyl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[2-(4-cyanophenyl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[2-(4-cyanophenyl)-5-methyl-1-pyrrolyl]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[2-(4-cyanophenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[2-(4-cyanophenyl)-5-methyl-pyrrol-1-yl]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)C#N)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)C#N)C)C(=O)O

InChI

InChI=1S/C25H26N2O4/c1-3-30-24(25(28)29)16-19-7-11-22(12-8-19)31-15-14-27-18(2)4-13-23(27)21-9-5-20(17-26)6-10-21/h4-13,24H,3,14-16H2,1-2H3,(H,28,29)