(2R)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoic acid

Systemtic Name: (2R)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-yl-propanoic acid Openeye Name: (2R)-3-[4-methoxy-2-[2-(1-piperidyl)ethoxy]phenyl]-2-(2-thienyl)propanoic acid CAS Name: (2R)-3-[4-methoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-2-thiophen-2-ylpropanoic acid IUPAC Name: (2R)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid Traditional Name: (2R)-3-[4-methoxy-2-(2-piperidinoethoxy)phenyl]-2-(2-thienyl)propionic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(C2=CC=CS2)C(=O)O)OCCN3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)C[C@@H](C2=CC=CS2)C(=O)O)OCCN3CCCCC3

InChI

InChI=1S/C21H27NO4S/c1-25-17-8-7-16(14-18(21(23)24)20-6-5-13-27-20)19(15-17)26-12-11-22-9-3-2-4-10-22/h5-8,13,15,18H,2-4,9-12,14H2,1H3,(H,23,24)/t18-/m0/s1