3-[1-[2-(3-methylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(3-methylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(3-methylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(3-methylphenoxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(3-methylphenoxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(3-methylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15-4-2-5-17(14-15)24-12-11-21-16(8-10-20(22)23)7-9-18(21)19-6-3-13-25-19/h2-7,9,13-14H,8,10-12H2,1H3,(H,22,23)