3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2,4-dimethylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C(=CC=C2C3=CC=CS3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C(=CC=C2C3=CC=CS3)CCC(=O)O)C

InChI

InChI=1S/C21H23NO3S/c1-15-5-9-19(16(2)14-15)25-12-11-22-17(7-10-21(23)24)6-8-18(22)20-4-3-13-26-20/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H,23,24)