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

Systemtic Name: 3-[1-[2-(2,5-dimethylphenoxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(2,5-dimethylphenoxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(2,5-dimethylphenoxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(2,5-dimethylphenoxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(2,5-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=CC(=C(C=C1)C)OCCN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

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

InChI

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