3-[2-ethyl-4-[(3R)-3-(4-ethyl-2-pyridin-2-yl-phenoxy)butoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-ethyl-4-[(3R)-3-(4-ethyl-2-pyridin-2-yl-phenoxy)butoxy]phenyl]propanoic acid Openeye Name: 3-[2-ethyl-4-[(3R)-3-[4-ethyl-2-(2-pyridyl)phenoxy]butoxy]phenyl]propanoic acid CAS Name: 3-[2-ethyl-4-[(3R)-3-[4-ethyl-2-(2-pyridinyl)phenoxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[2-ethyl-4-[(3R)-3-(4-ethyl-2-pyridin-2-ylphenoxy)butoxy]phenyl]propanoic acid Traditional Name: 3-[2-ethyl-4-[(3R)-3-[4-ethyl-2-(2-pyridyl)phenoxy]butoxy]phenyl]propionic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)CC)C3=CC=CC=N3

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@H](C)CCOC2=CC(=C(C=C2)CCC(=O)O)CC)C3=CC=CC=N3

InChI

InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1