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

Systemtic Name: 3-[4-[(3R)-3-(4-ethyl-2-pyridin-4-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-[4-ethyl-2-(4-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-(4-ethyl-2-pyridin-4-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-ethyl-2-pyridin-4-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-[4-ethyl-2-(4-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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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)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-4-21-5-9-26(25(18-21)23-11-14-28-15-12-23)32-20(3)13-16-31-24-8-6-22(19(2)17-24)7-10-27(29)30/h5-6,8-9,11-12,14-15,17-18,20H,4,7,10,13,16H2,1-3H3,(H,29,30)/t20-/m1/s1