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

Systemtic Name: 3-[4-[(3R)-3-(4-ethyl-2-pyridin-2-ylcarbonyl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-[4-ethyl-2-(pyridine-2-carbonyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-[4-ethyl-2-[oxo(2-pyridinyl)methyl]phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-[4-ethyl-2-(pyridine-2-carbonyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-(4-ethyl-2-picolinoyl-phenoxy)butoxy]-2-methyl-phenyl]propionic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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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)C)C(=O)C3=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5/c1-4-21-8-12-26(24(18-21)28(32)25-7-5-6-15-29-25)34-20(3)14-16-33-23-11-9-22(19(2)17-23)10-13-27(30)31/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,30,31)/t20-/m1/s1