2-methyl-2-[3-(4-oxidanyl-1-thiophen-2-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[3-(4-oxidanyl-1-thiophen-2-ylcarbonyl-piperidin-4-yl)phenoxy]propanoic acid Openeye Name: 2-[3-[4-hydroxy-1-(thiophene-2-carbonyl)-4-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[4-hydroxy-1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[4-hydroxy-1-(2-thenoyl)-4-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2(CCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)C2(CCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H23NO5S/c1-19(2,18(23)24)26-15-6-3-5-14(13-15)20(25)8-10-21(11-9-20)17(22)16-7-4-12-27-16/h3-7,12-13,25H,8-11H2,1-2H3,(H,23,24)