3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2,6-dimethylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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